A0A077ZPI6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZPI6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 481 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.5Very low22.8Very low235 Ų235171.1 Ų171.1100%1.15883%0.828SS**  089.50-172.4175.8160.700107.2
2L18.8Very low22.9Very low164 Ų164174.4 Ų174.486%0.85983%0.826SS**  trans-95119.5-178.2-86.6149.8000108.2F4L2-F4 PolarHBondContact O-N 3.16Å
3L22.2Very low22.9Very low155 Ų155175.8 Ų175.881%0.81283%0.827SS**  trans-87104169.2-82.1162.1000108.3Y5L3-Y5 PolarHBondContact O-N 3.29Å
4F19.4Very low23.1Very low190 Ų190171.8 Ų171.883%0.83381%0.812SS**  trans-65111.7164.7-84.6-93.5000109.4L2 R6L2-F4 PolarHBondContact O-N 3.16Å; F4-R6 PolarHBondContact O-N 3.46Å
5Y23.1Very low23.2Very low223 Ų223169.9 Ų169.988%0.87580%0.803SS**  trans-83.994.7158.4-109-90000108.1L3 S7L3-Y5 PolarHBondContact O-N 3.29Å; Y5-S7 PolarHBondContact O-N 2.95Å
6R22.4Very low23.4Very low197 Ų197164.1 Ų164.174%0.74378%0.781SS**  trans-73.8113.3170.4-135.2179-173.2177.91.9107.6F4 Y8F4-R6 PolarHBondContact O-N 3.46Å; R6-Y8 VanDerWaalsContact C-N 3.35Å; R6-Y8 PolarHBondContact O-N 2.97Å
7S22.3Very low23.4Very low120 Ų120164.9 Ų164.984%0.83978%0.781SS**  trans-61.791.2173.1-39.90000109.8Y5 K9Y5-S7 PolarHBondContact O-N 2.95Å; S7-K9 PolarHBondContact O-N 3.47Å
8Y22.6Very low23.4Very low180 Ų180162.1 Ų162.171%0.70677%0.771SS**  trans-72.4110.7171.6-90.4-87.5000109.1R6 V10R6-Y8 VanDerWaalsContact C-N 3.35Å; R6-Y8 PolarHBondContact O-N 2.97Å; Y8-V10 PolarHBondContact O-N 2.8Å
9K23.9Very low23.5Very low208 Ų208164.3 Ų164.390%0.90478%0.777SS**  trans-65.778.2163.5-146.5175.5-170.1176.40108S7 S11S7-K9 PolarHBondContact O-N 3.47Å; K9-S11 PolarHBondContact O-N 3.41Å
10V23.1Very low23.5Very low90 Ų90162.7 Ų162.755%0.54577%0.769SS.*  trans-86.684.4177.7-173.20000109.2Y8 R12Y8-V10 PolarHBondContact O-N 2.8Å; V10-R12 HydrophobicContact CG1-CB 3.66Å; V10-R12 HydrophobicContact CG1-CG 3.82Å; V10-R12 PolarHBondContact O-N 3.29Å; V10-R12 VanDerWaalsContact O-N 3.1Å
11S23.8Very low23.5Very low120 Ų120160.1 Ų160.184%0.83977%0.766SS**  trans-71.283151.3-740000108.1K9K9-S11 PolarHBondContact O-N 3.41Å
12R23.6Very low23.4Very low211 Ų211158.7 Ų158.780%0.79675%0.753SS**  trans-139.8121.6166.6-68-171.7175.7-173.7-1.7109.6V10 L14V10-R12 HydrophobicContact CG1-CB 3.66Å; V10-R12 HydrophobicContact CG1-CG 3.82Å; V10-R12 PolarHBondContact O-N 3.29Å; V10-R12 VanDerWaalsContact O-N 3.1Å; R12-L14 PolarHBondContact O-N 3.28Å
13K23.5Very low23.7Very low193 Ų193159.4 Ų159.484%0.83975%0.75SS**  trans-43109167.5-72.7175174.9176.60109.2H15K13-H15 PolarHBondContact O-N 3.26Å; K13-H15 VanDerWaalsContact O-N 3.16Å
14L25.9Very low23.8Very low119 Ų119163.9 Ų163.962%0.62376%0.755SS**  trans-79.195.5175.1-165.484.4000107.7R12 V16 I38R12-L14 PolarHBondContact O-N 3.28Å; L14-V16 HydrophobicContact CD2-CG2 3.88Å; L14-V16 HydrophobicContact CG-CG2 4.3Å; L14-V16 PolarHBondContact O-N 3.49Å; L14-V16 VanDerWaalsContact O-N 3.14Å; L14-I38 HydrophobicContact CD2-CG2 3.56Å
15H24.3Very low24.1Very low144 Ų144160.4 Ų160.467%0.66775%0.75SS**  trans-75.496.6168.1-81.2-74.9000108.9K13 F17K13-H15 PolarHBondContact O-N 3.26Å; K13-H15 VanDerWaalsContact O-N 3.16Å; H15-F17 HydrophobicContact CB-CD2 4.25Å; H15-F17 HydrophobicContact CB-CE2 3.84Å; H15-F17 WeakPolarHBondContact O-CD2 3.1Å; H15-F17 PolarHBondContact O-N 3.05Å
16V26.1Very low24.3Very low76 Ų76155.3 Ų155.346%0.46174%0.744SS.*  trans-73.5107.5167.4-1790000108L14 L18 I38L14-V16 HydrophobicContact CD2-CG2 3.88Å; L14-V16 HydrophobicContact CG-CG2 4.3Å; L14-V16 PolarHBondContact O-N 3.49Å; L14-V16 VanDerWaalsContact O-N 3.14Å; V16-L18 PolarHBondContact O-N 3.46Å; V16-I38 HydrophobicContact CG2-CD1 4.38Å; V16-I38 HydrophobicContact CG2-CG2 3.63Å
17F22.5Very low24.6Very low179 Ų179149.5 Ų149.579%0.78573%0.727SS**  trans-82.592172.9-77.3-88000109.8H15 K19H15-F17 HydrophobicContact CB-CD2 4.25Å; H15-F17 HydrophobicContact CB-CE2 3.84Å; H15-F17 WeakPolarHBondContact O-CD2 3.1Å; H15-F17 PolarHBondContact O-N 3.05Å; F17-K19 PolarHBondContact O-N 3.4Å
18L23.8Very low24.9Very low113 Ų113148.3 Ų148.359%0.59272%0.716SS**  trans-69.9105.4158.1-82.4158.3000107.6V16 H20 I27V16-L18 PolarHBondContact O-N 3.46Å; L18-H20 PolarHBondContact O-N 2.94Å; L18-I27 HydrophobicContact CD1-CD1 4.39Å
19K25Very low25.4Very low205 Ų205145.6 Ų145.689%0.89172%0.719SS**  trans-76.968.6-179.7-156.4-177.8-173.8-176.50110.4F17F17-K19 PolarHBondContact O-N 3.4Å
20H24.6Very low25.7Very low131 Ų131142.7 Ų142.761%0.60671%0.713SS**  trans-83122.2152.7-96.2-68.4000108L18 K22L18-H20 PolarHBondContact O-N 2.94Å; H20-K22 PolarHBondContact O-N 3.42Å; H20-K22 VanDerWaalsContact O-N 3.09Å
21P24.2Very low26Very low110 Ų110143.7 Ų143.771%0.71472%0.715SS**THydrogen-bonded Turntrans-68.4115.1169.630-28.3000106.2
22K26Very low26.3Very low205 Ų205141.7 Ų141.789%0.89171%0.706SS**THydrogen-bonded Turntrans1061.1163.7-54.4179.2177.5-179.20120.5H20H20-K22 PolarHBondContact O-N 3.42Å; H20-K22 VanDerWaalsContact O-N 3.09Å
23K25.2Very low26.6Very low179 Ų179137 Ų13778%0.77870%0.701SS**  trans-143.3115.4165.5-76.2-171.9178.7176.70112.8V25K23-V25 PolarHBondContact O-N 3.31Å
24R24.8Very low26.8Very low248 Ų248130.3 Ų130.394%0.93668%0.676SS**  trans-76.8112.1167.1-66-177.2-175-165.61.5107.6
25V26Very low27Very low117 Ų117127.3 Ų127.371%0.70967%0.668SS**  trans-104.4116.4170.5-1770000107.6K23 I27K23-V25 PolarHBondContact O-N 3.31Å; V25-I27 PolarHBondContact O-N 3.06Å
26P26.8Very low27.3Very low117 Ų117124.9 Ų124.976%0.7666%0.66SS**PPolyproline II helixtrans-69.2126.4170.527-29.3000109.1
27I29.4Very low27.4Very low74 Ų74125.4 Ų125.438%0.37966%0.657SS.*PPolyproline II helixtrans-84.6125.4168.9-59.4173000106.5L18 V25 T29L18-I27 HydrophobicContact CD1-CD1 4.39Å; V25-I27 PolarHBondContact O-N 3.06Å; I27-T29 PolarHBondContact O-N 2.89Å
28P27.5Very low27.8Very low96 Ų96119.1 Ų119.162%0.62363%0.63SS**PPolyproline II helixtrans-62.5125.4173.425.7-30000108.3
29T34.1Very low28.2Very low122 Ų122119.9 Ų119.975%0.74863%0.629SS**  trans-100.723.9-173.625.40000111.8I27 D31I27-T29 PolarHBondContact O-N 2.89Å; T29-D31 VanDerWaalsContact C-N 3.33Å; T29-D31 PolarHBondContact O-N 3.34Å
30D29.4Very low28.4Very low148 Ų148113.2 Ų113.279%0.79160%0.602SS**  trans-82.9-7.7-172.2-68.9-29.9000114
31D29.8Very low28.7Very low111 Ų111109.1 Ų109.159%0.59459%0.588SS**  trans-107.1114174.7-67.2-35000110.6T29 V33 T34T29-D31 VanDerWaalsContact C-N 3.33Å; T29-D31 PolarHBondContact O-N 3.34Å; D31-V33 PolarHBondContact O-N 3.33Å; D31-T34 PolarHBondContact O-N 2.94Å; D31-T34 PolarHBondContact O-OG1 3.28Å
32A30.5Very low28.9Very low78 Ų78107 Ų10765%0.64558%0.576SS**Hα-helixtrans-50.6-26.8173.800000112.7T34 A35 D36A32-T34 VanDerWaalsContact C-N 3.33Å; A32-T34 PolarHBondContact O-N 3.33Å; A32-A35 PolarHBondContact O-N 2.96Å; A32-D36 PolarHBondContact O-N 3.46Å
33V28.8Very low29.1Very low113 Ų113102.8 Ų102.869%0.68556%0.562SS**Hα-helixtrans-61.5-37175.2-1740000112.2D31 F37D31-V33 PolarHBondContact O-N 3.33Å; V33-F37 WeakPolarHBondContact O-CB 3.16Å; V33-F37 PolarHBondContact O-N 3.03Å; V33-F37 VanDerWaalsContact O-N 3.13Å
34T29.2Very low29.3Very low52 Ų5296.4 Ų96.432%0.31954%0.536SS..Hα-helixtrans-76-31.4-178.2-25.10000112.2D31 A32 I38D31-T34 PolarHBondContact O-N 2.94Å; D31-T34 PolarHBondContact O-OG1 3.28Å; A32-T34 VanDerWaalsContact C-N 3.33Å; A32-T34 PolarHBondContact O-N 3.33Å; T34-I38 VanDerWaalsContact O-CG1 3.32Å; T34-I38 WeakPolarHBondContact O-CG1 3.38Å; T34-I38 PolarHBondContact O-N 2.88Å
35A29Very low29.6Very low55 Ų5591.6 Ų91.646%0.45553%0.528SS..Hα-helixtrans-70.9-40177.800000112.1A32 K39A32-A35 PolarHBondContact O-N 2.96Å; A35-K39 PolarHBondContact O-N 3.2Å; A35-K39 VanDerWaalsContact O-N 3.07Å
36D30.4Very low29.8Very low94 Ų9490.4 Ų90.450%0.50352%0.524SS..Hα-helixtrans-70.6-35.7175-73.6-22.3000111.7A32 I38 K39 I40A32-D36 PolarHBondContact O-N 3.46Å; D36-I38 VanDerWaalsContact C-N 3.34Å; D36-I38 PolarHBondContact O-N 2.8Å; D36-K39 PolarHBondContact O-N 3.35Å; D36-I40 WeakPolarHBondContact O-CB 3.43Å; D36-I40 VanDerWaalsContact O-CG1 3.27Å; D36-I40 WeakPolarHBondContact O-CG1 3.4Å; D36-I40 PolarHBondContact O-N 2.88Å
37F29.6Very low29.9Very low87 Ų8790 Ų9038%0.38252%0.516SS..Hα-helixtrans-60.6-41.4175.1-147.6-100.6000112.7V33 S41 V62 L64V33-F37 WeakPolarHBondContact O-CB 3.16Å; V33-F37 PolarHBondContact O-N 3.03Å; V33-F37 VanDerWaalsContact O-N 3.13Å; F37-S41 WeakPolarHBondContact O-CB 3.29Å; F37-S41 PolarHBondContact O-N 3.02Å; F37-S41 VanDerWaalsContact O-N 3.15Å; F37-S41 PolarHBondContact O-OG 3.01Å; F37-V62 HydrophobicContact CD2-CG2 4.35Å; F37-V62 HydrophobicContact CE2-CB 3.82Å; F37-V62 HydrophobicContact CE2-CG1 3.81Å; F37-V62 HydrophobicContact CE2-CG2 3.53Å; F37-V62 HydrophobicContact CZ-CB 4.34Å; F37-V62 HydrophobicContact CZ-CG1 3.8Å; F37-V62 HydrophobicContact CZ-CG2 4.29Å; F37-L64 HydrophobicContact CZ-CD1 4.13Å
38I30.5Very low30Very low46 Ų4695.2 Ų95.224%0.23654%0.536CS..Hα-helixtrans-74.2-40.9178.8-67.9168.6000111.1L14 V16 T34 D36 I40 S41 C42L14-I38 HydrophobicContact CD2-CG2 3.56Å; V16-I38 HydrophobicContact CG2-CD1 4.38Å; V16-I38 HydrophobicContact CG2-CG2 3.63Å; T34-I38 VanDerWaalsContact O-CG1 3.32Å; T34-I38 WeakPolarHBondContact O-CG1 3.38Å; T34-I38 PolarHBondContact O-N 2.88Å; D36-I38 VanDerWaalsContact C-N 3.34Å; D36-I38 PolarHBondContact O-N 2.8Å; I38-I40 VanDerWaalsContact C-N 3.35Å; I38-I40 PolarHBondContact O-N 3.2Å; I38-S41 PolarHBondContact O-N 3.39Å; I38-C42 PolarHBondContact O-N 3.16Å; I38-C42 VanDerWaalsContact O-N 3.08Å
39K31.3Very low30.1Very low129 Ų129100.6 Ų100.656%0.56154%0.544SS*.Hα-helixtrans-59.5-44.9176.5-101.9179.5177174.30112.1A35 D36 C42 I43A35-K39 PolarHBondContact O-N 3.2Å; A35-K39 VanDerWaalsContact O-N 3.07Å; D36-K39 PolarHBondContact O-N 3.35Å; K39-C42 PolarHBondContact O-N 2.96Å; K39-I43 WeakPolarHBondContact O-CG1 3.39Å; K39-I43 PolarHBondContact O-N 3.44Å; K39-I43 VanDerWaalsContact O-N 3.12Å
40I30.4Very low29.9Very low65 Ų6599 Ų9933%0.33354%0.543SS..Hα-helixtrans-72-38.8-177.1-68.6169.7000111.2D36 I38 C42 I43 I44 F59D36-I40 WeakPolarHBondContact O-CB 3.43Å; D36-I40 VanDerWaalsContact O-CG1 3.27Å; D36-I40 WeakPolarHBondContact O-CG1 3.4Å; D36-I40 PolarHBondContact O-N 2.88Å; I38-I40 VanDerWaalsContact C-N 3.35Å; I38-I40 PolarHBondContact O-N 3.2Å; I40-C42 VanDerWaalsContact C-N 3.27Å; I40-C42 PolarHBondContact O-N 3.29Å; I40-I43 PolarHBondContact O-N 3.45Å; I40-I44 HydrophobicContact CG2-CD1 4.05Å; I40-I44 WeakPolarHBondContact O-CG1 3.47Å; I40-I44 PolarHBondContact O-N 3.3Å; I40-I44 VanDerWaalsContact O-N 3.13Å; I40-F59 HydrophobicContact CD1-CE1 4.5Å; I40-F59 HydrophobicContact CG2-CD1 4.29Å; I40-F59 HydrophobicContact CG2-CE1 3.34Å; I40-F59 HydrophobicContact CG2-CE2 4.15Å; I40-F59 HydrophobicContact CG2-CZ 3.24Å
41S30.3Very low30.1Very low45 Ų4595.3 Ų95.332%0.31552%0.523SS..Hα-helixtrans-60.9-36.8173.9-59.20000112F37 I38 L45F37-S41 WeakPolarHBondContact O-CB 3.29Å; F37-S41 PolarHBondContact O-N 3.02Å; F37-S41 VanDerWaalsContact O-N 3.15Å; F37-S41 PolarHBondContact O-OG 3.01Å; I38-S41 PolarHBondContact O-N 3.39Å; S41-L45 WeakPolarHBondContact O-CG 3.47Å; S41-L45 PolarHBondContact O-N 3.27Å
42C28.2Very low30.2Very low67 Ų6798.8 Ų98.845%0.45353%0.527SS..Hα-helixtrans-71.5-35.6174.8-76.30000113.4I38 K39 I40 I44 L45 S46I38-C42 PolarHBondContact O-N 3.16Å; I38-C42 VanDerWaalsContact O-N 3.08Å; K39-C42 PolarHBondContact O-N 2.96Å; I40-C42 VanDerWaalsContact C-N 3.27Å; I40-C42 PolarHBondContact O-N 3.29Å; C42-I44 VanDerWaalsContact C-N 3.35Å; C42-L45 PolarHBondContact O-N 2.87Å; C42-S46 WeakPolarHBondContact O-CB 3.35Å; C42-S46 PolarHBondContact O-N 3.35Å; C42-S46 PolarHBondContact O-OG 3.25Å
43I29.9Very low30.2Very low115 Ų115101 Ų10159%0.5954%0.535SS*.Hα-helixtrans-65.4-41.3177.9-68.6164.7000110.5K39 I40 S46 D47K39-I43 WeakPolarHBondContact O-CG1 3.39Å; K39-I43 PolarHBondContact O-N 3.44Å; K39-I43 VanDerWaalsContact O-N 3.12Å; I40-I43 PolarHBondContact O-N 3.45Å; I43-S46 PolarHBondContact O-N 3.29Å; I43-D47 PolarHBondContact O-N 2.9Å
44I30.2Very low30.2Very low45 Ų4598.5 Ų98.523%0.23153%0.532CS..Hα-helixtrans-68.4-36.4179.4-69165.8000112.4I40 C42 S46 L51 L57 F59I40-I44 HydrophobicContact CG2-CD1 4.05Å; I40-I44 WeakPolarHBondContact O-CG1 3.47Å; I40-I44 PolarHBondContact O-N 3.3Å; I40-I44 VanDerWaalsContact O-N 3.13Å; C42-I44 VanDerWaalsContact C-N 3.35Å; I44-S46 VanDerWaalsContact C-N 3.33Å; I44-L51 HydrophobicContact CG2-CD1 3.25Å; I44-L51 HydrophobicContact CG2-CG 4.37Å; I44-L57 HydrophobicContact CD1-CD1 3.58Å; I44-L57 HydrophobicContact CD1-CD2 4.21Å; I44-L57 HydrophobicContact CD1-CG 4.48Å; I44-L57 HydrophobicContact CG2-CD1 4.16Å; I44-F59 HydrophobicContact CD1-CE2 4.01Å; I44-F59 HydrophobicContact CD1-CZ 3.58Å
45L30.9Very low30.3Very low147 Ų14798.5 Ų98.577%0.7753%0.533SS*.Hα-helixtrans-77.7-18.5176.9-72.2167.2000113.3S41 C42S41-L45 WeakPolarHBondContact O-CG 3.47Å; S41-L45 PolarHBondContact O-N 3.27Å; C42-L45 PolarHBondContact O-N 2.87Å
46S28.8Very low30.3Very low92 Ų9299.6 Ų99.664%0.64353%0.533SS*.Hα-helixtrans-84.5-24.8179.7-58.80000112.9C42 I43 I44 K48C42-S46 WeakPolarHBondContact O-CB 3.35Å; C42-S46 PolarHBondContact O-N 3.35Å; C42-S46 PolarHBondContact O-OG 3.25Å; I43-S46 PolarHBondContact O-N 3.29Å; I44-S46 VanDerWaalsContact C-N 3.33Å; S46-K48 PolarHBondContact O-N 2.76Å
47D30Very low30.3Very low109 Ų10997 Ų9758%0.58352%0.519SS*.SBendtrans-85.695174.9-148.1-11.8000109.1I43 R49I43-D47 PolarHBondContact O-N 2.9Å; D47-R49 PolarHBondContact O-N 3.28Å
48K31.1Very low30.2Very low183 Ų18399.7 Ų99.780%0.79654%0.537SS*.  trans-62.917-175.2-69.5-173.4176.9-178.30115.1S46 A50S46-K48 PolarHBondContact O-N 2.76Å; K48-A50 PolarHBondContact O-N 2.94Å
49R29.2Very low30.1Very low210 Ų210100.3 Ų100.379%0.79254%0.538SS*.SBendtrans-83.290.5169.1-65.2-176.9-173.7-167.82.2107.9D47 L51D47-R49 PolarHBondContact O-N 3.28Å; R49-L51 PolarHBondContact O-N 3.11Å
50A30.3Very low29.8Very low87 Ų87100.5 Ų100.572%0.71955%0.552SS**  trans-25.4105.1175.100000113.6K48 R52K48-A50 PolarHBondContact O-N 2.94Å; A50-R52 PolarHBondContact O-N 2.86Å
51L34.1Very low29.6Very low72 Ų72105.6 Ų105.638%0.37757%0.567SS.*  trans-56.4112.7161.2-85.1163.3000107.1I44 R49 T55 L57I44-L51 HydrophobicContact CG2-CD1 3.25Å; I44-L51 HydrophobicContact CG2-CG 4.37Å; R49-L51 PolarHBondContact O-N 3.11Å; L51-T55 HydrophobicContact CD2-CG2 3.54Å; L51-L57 HydrophobicContact CD1-CD1 4.27Å; L51-L57 HydrophobicContact CD2-CD1 4.46Å; L51-L57 HydrophobicContact CD2-CD2 4.5Å
52R31.6Very low29.4Very low183 Ų183106 Ų10669%0.69157%0.568SS**  trans-68.1145.9178-67.8-177.2-178.3179.11.6108.7A50 G54 T55A50-R52 PolarHBondContact O-N 2.86Å; R52-G54 PolarHBondContact O-N 3.21Å; R52-T55 PolarHBondContact N-OG1 3.18Å; R52-T55 PolarHBondContact O-N 2.96Å; R52-T55 PolarHBondContact O-OG1 3.46Å
53P30.9Very low29.3Very low125 Ų125107.9 Ų107.981%0.81257%0.573SS**THydrogen-bonded Turntrans-50126.4168.4-21.930.7000109.6
54G29.2Very low29.2Very low60 Ų60105 Ų10562%0.61956%0.558SS**THydrogen-bonded Turntrans93.27.7-175.900000116R52 V56R52-G54 PolarHBondContact O-N 3.21Å; G54-V56 PolarHBondContact O-N 2.86Å
55T30Very low29Very low53 Ų53107 Ų10733%0.32557%0.569SS.*  trans-75.6110.9169.7-46.20000109.4L51 R52L51-T55 HydrophobicContact CD2-CG2 3.54Å; R52-T55 PolarHBondContact N-OG1 3.18Å; R52-T55 PolarHBondContact O-N 2.96Å; R52-T55 PolarHBondContact O-OG1 3.46Å
56V29.3Very low28.8Very low77 Ų77104.3 Ų104.347%0.46756%0.555SS.*  trans-83.2115.6173.2-176.70000108G54 L58 L63G54-V56 PolarHBondContact O-N 2.86Å; V56-L58 HydrophobicContact CG1-CG 4.11Å; V56-L58 PolarHBondContact O-N 2.91Å; V56-L63 HydrophobicContact CG1-CD1 3.95Å
57L30.1Very low28.5Very low40 Ų40108.3 Ų108.321%0.20956%0.557CS.*EExtended strand (participates in β ladder)trans-86.1100.7168.4-71162.9000107.3I44 L51 F59I44-L57 HydrophobicContact CD1-CD1 3.58Å; I44-L57 HydrophobicContact CD1-CD2 4.21Å; I44-L57 HydrophobicContact CD1-CG 4.48Å; I44-L57 HydrophobicContact CG2-CD1 4.16Å; L51-L57 HydrophobicContact CD1-CD1 4.27Å; L51-L57 HydrophobicContact CD2-CD1 4.46Å; L51-L57 HydrophobicContact CD2-CD2 4.5Å; L57-F59 HydrophobicContact CB-CD2 4.17Å; L57-F59 HydrophobicContact CB-CE2 3.69Å; L57-F59 HydrophobicContact CB-CZ 4.44Å; L57-F59 HydrophobicContact CD1-CE2 4.36Å; L57-F59 HydrophobicContact CG-CE2 4.47Å; L57-F59 PolarHBondContact O-N 3.21Å
58L27Very low28.2Very low143 Ų143108 Ų10875%0.74956%0.561SS**EExtended strand (participates in β ladder)trans-7896.6172.1-80.4160.5000108.2V56 L63V56-L58 HydrophobicContact CG1-CG 4.11Å; V56-L58 PolarHBondContact O-N 2.91Å; L58-L63 HydrophobicContact CD2-CD1 4.24Å
59F29Very low27.8Very low60 Ų60104.3 Ų104.326%0.26356%0.557SS.*EExtended strand (participates in β ladder)trans-88.2142.4161.1-68.7-73.1000108.6I40 I44 L57 R61 V62I40-F59 HydrophobicContact CD1-CE1 4.5Å; I40-F59 HydrophobicContact CG2-CD1 4.29Å; I40-F59 HydrophobicContact CG2-CE1 3.34Å; I40-F59 HydrophobicContact CG2-CE2 4.15Å; I40-F59 HydrophobicContact CG2-CZ 3.24Å; I44-F59 HydrophobicContact CD1-CE2 4.01Å; I44-F59 HydrophobicContact CD1-CZ 3.58Å; L57-F59 HydrophobicContact CB-CD2 4.17Å; L57-F59 HydrophobicContact CB-CE2 3.69Å; L57-F59 HydrophobicContact CB-CZ 4.44Å; L57-F59 HydrophobicContact CD1-CE2 4.36Å; L57-F59 HydrophobicContact CG-CE2 4.47Å; L57-F59 PolarHBondContact O-N 3.21Å; F59-R61 PolarHBondContact O-N 2.82Å; F59-V62 PolarHBondContact N-O 3.38Å; F59-V62 PolarHBondContact O-N 3.2Å
60P25.7Very low27.5Very low133 Ų13398.3 Ų98.386%0.86455%0.545SS*.THydrogen-bonded Turntrans-60.1-6.1-175.521.4-30.7000113.9
61R25.5Very low27.3Very low172 Ų172101 Ų10165%0.64955%0.548SS*.THydrogen-bonded Turntrans-136.6-1.8177.2-71.6-173.7158.1148-10.4116.1F59 T266F59-R61 PolarHBondContact O-N 2.82Å; R61-T266 PolarHBondContact NH2-OG1 2.91Å
62V26.4Very low26.8Very low53 Ų53108.2 Ų108.232%0.32157%0.57SS.*EExtended strand (participates in β ladder)trans-144.3118.1179.9-179.90000111.3F37 F59 L64F37-V62 HydrophobicContact CD2-CG2 4.35Å; F37-V62 HydrophobicContact CE2-CB 3.82Å; F37-V62 HydrophobicContact CE2-CG1 3.81Å; F37-V62 HydrophobicContact CE2-CG2 3.53Å; F37-V62 HydrophobicContact CZ-CB 4.34Å; F37-V62 HydrophobicContact CZ-CG1 3.8Å; F37-V62 HydrophobicContact CZ-CG2 4.29Å; F59-V62 PolarHBondContact N-O 3.38Å; F59-V62 PolarHBondContact O-N 3.2Å; V62-L64 PolarHBondContact O-N 3.08Å
63L26.7Very low26.4Very low107 Ų107106.9 Ų106.956%0.5658%0.576SS**EExtended strand (participates in β ladder)trans-81.2102.5168.4-171.175.6000108.4V56 L58 L65V56-L63 HydrophobicContact CG1-CD1 3.95Å; L58-L63 HydrophobicContact CD2-CD1 4.24Å; L63-L65 HydrophobicContact CD2-CD1 3.53Å; L63-L65 HydrophobicContact CD2-CG 3.88Å; L63-L65 HydrophobicContact CG-CD1 4.23Å; L63-L65 HydrophobicContact CG-CG 4.05Å; L63-L65 PolarHBondContact O-N 3.27Å
64L27Very low26Very low55 Ų55105.9 Ų105.929%0.28857%0.573SS.*EExtended strand (participates in β ladder)trans-87.290.6175-127143.7000108.5F37 V62 L66F37-L64 HydrophobicContact CZ-CD1 4.13Å; V62-L64 PolarHBondContact O-N 3.08Å; L64-L66 HydrophobicContact CD2-CG 4.42Å; L64-L66 PolarHBondContact O-N 3.34Å
65L25.4Very low25.7Very low85 Ų85109.2 Ų109.245%0.44559%0.585SS.*  trans-80.695.5173.7-81.9160.1000109.7L63 Y67L63-L65 HydrophobicContact CD2-CD1 3.53Å; L63-L65 HydrophobicContact CD2-CG 3.88Å; L63-L65 HydrophobicContact CG-CD1 4.23Å; L63-L65 HydrophobicContact CG-CG 4.05Å; L63-L65 PolarHBondContact O-N 3.27Å; L65-Y67 VanDerWaalsContact C-N 3.28Å; L65-Y67 HydrophobicContact CB-CD2 3.76Å; L65-Y67 HydrophobicContact CB-CE2 3.64Å; L65-Y67 HydrophobicContact CD1-CE2 3.79Å; L65-Y67 HydrophobicContact CD2-CE2 3.78Å; L65-Y67 HydrophobicContact CG-CE2 3.91Å; L65-Y67 PolarHBondContact O-N 2.75Å
66L26.5Very low25.2Very low92 Ų92112.6 Ų112.648%0.48261%0.608SS.*  trans-74.183.3166.5-74.1164000109L64L64-L66 HydrophobicContact CD2-CG 4.42Å; L64-L66 PolarHBondContact O-N 3.34Å
67Y22.6Very low24.9Very low176 Ų176113.8 Ų113.869%0.6962%0.62SS**  trans-79.8130.1170.1-80.9-74.7000110.6L65 C69L65-Y67 VanDerWaalsContact C-N 3.28Å; L65-Y67 HydrophobicContact CB-CD2 3.76Å; L65-Y67 HydrophobicContact CB-CE2 3.64Å; L65-Y67 HydrophobicContact CD1-CE2 3.79Å; L65-Y67 HydrophobicContact CD2-CE2 3.78Å; L65-Y67 HydrophobicContact CG-CE2 3.91Å; L65-Y67 PolarHBondContact O-N 2.75Å; Y67-C69 PolarHBondContact O-N 3.01Å
68P24.3Very low24.5Very low102 Ų102119.1 Ų119.166%0.66265%0.647SS**  trans-71.4109.5163.929-28000107.2P70P68-P70 VanDerWaalsContact O-CD 3.23Å; P68-P70 WeakPolarHBondContact O-CD 3.22Å
69C23.2Very low24.3Very low106 Ų106123.1 Ų123.172%0.71665%0.654SS**  trans-82.2112.9174.7-141.90000108.6Y67Y67-C69 PolarHBondContact O-N 3.01Å
70P23.7Very low23.9Very low84 Ų84124 Ų12455%0.54568%0.679SS.*  trans-96.1114171.230.1-13.5000107.8P68P68-P70 VanDerWaalsContact O-CD 3.23Å; P68-P70 WeakPolarHBondContact O-CD 3.22Å
71N24.3Very low23.8Very low144 Ų144127.6 Ų127.677%0.7768%0.675SS**  trans96.6121.6176.9-52.6-20.2000115.2
72W25.1Very low23.7Very low222 Ų222128.4 Ų128.484%0.84169%0.687SS**SBendtrans-95.33.7-173.3-98.227.4000114.9
73D23Very low23.6Very low155 Ų155132.7 Ų132.783%0.82970%0.698SS**SBendtrans-111.58.6-163.6-70.2-32.4000116.6
74S22.3Very low23.3Very low105 Ų105134.1 Ų134.173%0.73470%0.702SS**  trans-158.583.1-17959.10000115.1
75C22.4Very low23.2Very low129 Ų129140.2 Ų140.287%0.87273%0.726SS**  trans-143112.5154.1-1020000110.1
76P20.7Very low23.1Very low124 Ų124142.4 Ų142.481%0.80574%0.744SS**  trans-82.8130.9172.128.1-21.5000111.1
77S21.5Very low22.9Very low103 Ų103145.4 Ų145.472%0.7276%0.758SS**  trans-10129.1163.259.20000118.8
78I22.1Very low22.9Very low152 Ų152140.8 Ų140.878%0.77976%0.756SS**  -172.2136.9118.4-81.9143.3000107
79Y23Very low22.7Very low227 Ų227144.5 Ų144.589%0.8977%0.765SS**SBendtrans92.277.3-167.6-64.6-77.4000115.8
80G21.6Very low22.7Very low77 Ų77148 Ų14879%0.79477%0.769SS**  trans-84.3114.5-17700000114.7
81R22.2Very low22.6Very low209 Ų209153.2 Ų153.279%0.78979%0.785SS**  -160.299.3116.1-93.9-174.6-165.1-1736.7106.4Y83R81-Y83 PolarHBondContact O-N 2.82Å
82E22.9Very low22.5Very low189 Ų189149.4 Ų149.488%0.88378%0.78SS**  trans-66.3112.6172.8-72.8176.5154.800109.5
83Y24.2Very low22.3Very low144 Ų144148.3 Ų148.357%0.56578%0.784SS**  trans-89.5103.8158.6-69.7-82.6000107.5R81 F85R81-Y83 PolarHBondContact O-N 2.82Å; Y83-F85 PolarHBondContact O-N 3.29Å
84Q22.5Very low22.3Very low137 Ų137152.6 Ų152.664%0.6479%0.789SS**  trans-70.9109.5164.4-89.2-175.4-11.600108.7
85F24.8Very low22.3Very low183 Ų183157.6 Ų157.680%0.80380%0.798SS**  trans-93.3106.9163.8-65.6-84.4000108.2Y83Y83-F85 PolarHBondContact O-N 3.29Å
86T21.5Very low22.3Very low131 Ų131159 Ų15980%0.80480%0.802SS**  trans-81.3119.4167.7-17.10000107.8A88T86-A88 PolarHBondContact O-N 3.27Å
87I23.2Very low22.4Very low154 Ų154156.4 Ų156.479%0.7980%0.798SS**  trans-69118.9166.4-60172.9000105.8E89I87-E89 PolarHBondContact O-N 2.7Å; I87-E89 VanDerWaalsContact O-N 3.12Å
88A22.3Very low22.4Very low79 Ų79160.7 Ų160.765%0.65381%0.806SS**  trans-64113.3169.200000108.1T86 F90T86-A88 PolarHBondContact O-N 3.27Å; A88-F90 PolarHBondContact O-N 3.45Å; A88-F90 VanDerWaalsContact O-N 3.13Å
89E20.8Very low22.3Very low180 Ų180162.2 Ų162.284%0.84181%0.81SS**  trans-56.9114.6168.1-78.5178.6148.300108.7I87 E91I87-E89 PolarHBondContact O-N 2.7Å; I87-E89 VanDerWaalsContact O-N 3.12Å; E89-E91 PolarHBondContact O-N 3.36Å
90F22.8Very low22.3Very low181 Ų181159.3 Ų159.379%0.79481%0.809SS**  trans-7995.2160-92.2-91000106.9A88 G92A88-F90 PolarHBondContact O-N 3.45Å; A88-F90 VanDerWaalsContact O-N 3.13Å; F90-G92 PolarHBondContact O-N 3.33Å; F90-G92 VanDerWaalsContact O-N 3.14Å
91E20.8Very low22.2Very low192 Ų192166 Ų16690%0.89781%0.811SS**  trans-62.8109.8163.8-83.4-173.1145.200108.9E89E89-E91 PolarHBondContact O-N 3.36Å
92G23.9Very low22.3Very low64 Ų64162.1 Ų162.166%0.6681%0.813SS**  trans171.792175.600000111.5F90 R94F90-G92 PolarHBondContact O-N 3.33Å; F90-G92 VanDerWaalsContact O-N 3.14Å; G92-R94 PolarHBondContact O-N 3.16Å
93E20.7Very low22.2Very low199 Ų199160 Ų16093%0.9381%0.809SS**  trans-55.5122170.4-74.1-172.3146.100110.8
94R23.1Very low22.1Very low246 Ų246161 Ų16193%0.92882%0.824SS**  trans-137.4128.8162-74.9-167.1175.2176.9-1.2112.4G92G92-R94 PolarHBondContact O-N 3.16Å
95K22Very low22.2Very low210 Ų210161.8 Ų161.891%0.91383%0.825SS**  trans-71.9143.6-176.2-66.2177.7177.4176.40111.8G97K95-G97 PolarHBondContact O-N 3.18Å
96V21.5Very low22.2Very low158 Ų158160.6 Ų160.696%0.95883%0.826SS**SBendtrans-67.7121.7174.4178.30000109.9
97G22.1Very low22.3Very low70 Ų70161.3 Ų161.372%0.72282%0.82SS**  trans128.573.917000000114.4K95K95-G97 PolarHBondContact O-N 3.18Å
98Q21.6Very low22.4Very low192 Ų192158.3 Ų158.390%0.89781%0.813SS**  trans-155.7126.8155.5-116.7173.76.700110.3
99E21.1Very low22.4Very low184 Ų184162.9 Ų162.986%0.8683%0.825SS**  trans-78.5116.6177.4-164175.1-148.700108.1R101E99-R101 PolarHBondContact O-N 3.27Å
100L22.4Very low22.5Very low166 Ų166163.1 Ų163.187%0.86983%0.826SS**  trans-89.6103.9179.3-83.9161000110
101R20.7Very low22.5Very low219 Ų219159.1 Ų159.183%0.82682%0.821SS**  trans-71.5133.4159.9-73-175.5175.1-178.5-1.7108.7E99 D103E99-R101 PolarHBondContact O-N 3.27Å; R101-D103 PolarHBondContact O-N 3.19Å
102C22.6Very low22.6Very low126 Ų126158.9 Ų158.985%0.85183%0.825SS**SBendtrans-81.772.8173.4-66.70000109.2
103D21.4Very low22.6Very low146 Ų146162 Ų16278%0.78183%0.831SS**  trans-165.879.6165-87.6-36.5000106.2R101R101-D103 PolarHBondContact O-N 3.19Å
104D23.2Very low22.6Very low165 Ų165157.4 Ų157.488%0.88282%0.822SS**  trans-164.4138153.7-93.2-32.3000110.4
105K24.5Very low22.7Very low152 Ų152151.4 Ų151.466%0.66181%0.812SS**  trans-54.2137.9-169.8-61.9167.7161.5-1500114.2E107K105-E107 HydrophobicContact CB-CG 4.48Å; K105-E107 IonicContact NZ-OE1 2.8Å; K105-E107 PolarHBondContact NZ-OE1 3.4Å; K105-E107 IonicContact NZ-OE2 3.54Å
106L24.7Very low22.7Very low159 Ų159150.1 Ų150.183%0.83281%0.81SS**  trans-107.363154.4-122.1148.8000108.4S108L106-S108 PolarHBondContact O-N 3.03Å
107E22.9Very low22.8Very low145 Ų145146.3 Ų146.368%0.67880%0.802SS**  trans-6995.8149.6-79.9168.3-17300106.5K105K105-E107 HydrophobicContact CB-CG 4.48Å; K105-E107 IonicContact NZ-OE1 2.8Å; K105-E107 PolarHBondContact NZ-OE1 3.4Å; K105-E107 IonicContact NZ-OE2 3.54Å
108S24.4Very low22.8Very low91 Ų91146.8 Ų146.864%0.63680%0.799SS**  trans160.887.815262.60000112L106L106-S108 PolarHBondContact O-N 3.03Å
109L24Very low23Very low175 Ų175145.4 Ų145.492%0.91679%0.792SS**  trans-148.548.6147.6-112.3155.5000108.1
110E21.9Very low23.3Very low185 Ų185143.2 Ų143.286%0.86478%0.782SS**  trans-83.4149.1149.7-85.1-176.5148.900108.3
111S23Very low23.5Very low98 Ų98145 Ų14569%0.68578%0.777SS**  trans88.869.8-177.681.40000117.6
112L22.4Very low23.7Very low186 Ų186141 Ų14197%0.97477%0.772SS**  -113.992.9120.2-82.9166.8000106.9
113T24Very low23.9Very low129 Ų129138.1 Ų138.179%0.79176%0.764SS**  trans-67.4128.9177.235.20000111.9
114S20.9Very low24.1Very low104 Ų104140.1 Ų140.173%0.72777%0.766SS**  trans-22.1136.1148.9173.30000117.8
115T25.4Very low24.3Very low119 Ų119138.2 Ų138.273%0.7376%0.76SS**  trans-172.4111.3130.326.50000108
116E23.2Very low24.5Very low184 Ų184139 Ų13986%0.8677%0.766SS**  88.912293.4-90.4-178.5157.400115.4
117G22.4Very low24.5Very low77 Ų77138.9 Ų138.979%0.79476%0.761SS**  trans88.7140.915600000116
118A22.7Very low24.9Very low80 Ų80139.1 Ų139.166%0.66177%0.772SS**  cis-176.9157-4.900000106.5
119H26Very low24.8Very low163 Ų163143 Ų14376%0.75578%0.78SS**  trans67.3140163.7-63-76.8000116.9
120E27.9Very low24.9Very low138 Ų138138.1 Ų138.165%0.64577%0.772SS**  cis-172.5145.96.5-121.7165.6-168.700108.1
121R26Very low25.1Very low205 Ų205137 Ų13777%0.77477%0.772SS**  trans45.9146.2134.9-71.9-179.7-172.1-164.56.3120.4
122D24.6Very low25.2Very low135 Ų135142.1 Ų142.172%0.72278%0.782SS**  cis-171.9160.58.7-104.8-27.3000107.9
123G26.7Very low25.3Very low65 Ų65138.3 Ų138.367%0.6777%0.771SS**  trans128.379.5157.500000114.8
124F24.8Very low25.4Very low187 Ų187140.1 Ų140.182%0.8278%0.775SS**  56.2125.4100.8-87.6-95.9000114.2
125V28.6Very low25.6Very low125 Ų125140.8 Ų140.876%0.75878%0.78SS**  -155.812965.81680000113.1
126E28.2Very low25.5Very low168 Ų168143.2 Ų143.279%0.78578%0.783SS**  trans41.2142141.8-69.4178140.200127.2
127E24.8Very low25.5Very low158 Ų158141.9 Ų141.974%0.73878%0.777SS**  trans-59.2154.7169.5-64.2168.7119.400115.4
128T30.8Very low25.5Very low149 Ų149145 Ų14591%0.91477%0.77SS**  -152.4119.4126.3-0.80000111.1
129H23.9Very low25.4Very low172 Ų172145.9 Ų145.980%0.79677%0.772SS**  trans-68.7138.7168.3-98.6-77.8000111.2
130G24.4Very low25.2Very low73 Ų73148.2 Ų148.275%0.75378%0.775SS**  trans-142.1132.3166.400000110.3
131N27.8Very low25Very low161 Ų161151 Ų15186%0.86179%0.788SS**  trans-77.8161.3-152.6-84.3-34.1000118.1
132K23Very low24.8Very low206 Ų206149.1 Ų149.190%0.89679%0.79SS**  trans-65.3150.4175.5-61167.2174.1171.80115
133S26.5Very low24.7Very low106 Ų106148.7 Ų148.774%0.74179%0.793SS**  trans-156.5107.5135.466.80000109.1
134L24.5Very low24.6Very low167 Ų167152 Ų15287%0.87480%0.802SS**  81.298.999.6-84.3156.2000115.1
135S25.5Very low24.4Very low118 Ų118146.9 Ų146.983%0.82579%0.794SS**  -163.9125.6115.267.30000110.5
136Q23.5Very low23.9Very low170 Ų170151.4 Ų151.479%0.79480%0.804SS**  trans-64.8147.4169.2-62.1161.4-44.500110.3
137Q22.6Very low23.7Very low157 Ų157149.5 Ų149.573%0.73480%0.804SS**  161.7137.1107.7-96.9-178.7-15.200114.5
138H23.6Very low23.5Very low143 Ų143148.1 Ų148.166%0.66281%0.806SS**  trans78.3112.2148.3-65.1-56.4000122.9
139S20.9Very low23.3Very low98 Ų98147.2 Ų147.269%0.68580%0.803SS**  trans-48.7135.8149.548.80000114.2
140Y21.5Very low23.1Very low211 Ų211149.8 Ų149.883%0.82781%0.806SS**  trans-150.3125142.1-87.5-75.7000110.7M142Y140-M142 PolarHBondContact O-N 3.21Å
141E22.3Very low23.1Very low196 Ų196154 Ų15492%0.91681%0.806SS**  trans-62.9114.6158.6-170.3175.1-154.100107.6
142M22.6Very low23Very low167 Ų167155.7 Ų155.782%0.82381%0.808SS**  trans-153.6120.5176.1-134170.8-165.300112.4Y140Y140-M142 PolarHBondContact O-N 3.21Å
143T22.1Very low22.9Very low126 Ų126148.8 Ų148.877%0.77380%0.795SS**  trans-32.4128.1157.27.50000112.4A145T143-A145 PolarHBondContact O-N 3.2Å
144P24.6Very low22.6Very low134 Ų134154.5 Ų154.587%0.8780%0.802SS**  trans-74.299.617127.2-27.8000109.1
145A20.1Very low22.5Very low79 Ų79151.8 Ų151.865%0.65380%0.798SS**  trans-66.4148.5165.200000110.8T143 V147T143-A145 PolarHBondContact O-N 3.2Å; A145-V147 PolarHBondContact O-N 3.03Å
146F19.6Very low22.3Very low221 Ų221151 Ų15197%0.96980%0.798SS**  trans-57.8120169.5-74.5-98.1000110.2
147V22.7Very low22.1Very low128 Ų128153.2 Ų153.278%0.77680%0.8SS**  trans-125.8108.6170-179.10000107.8A145A145-V147 PolarHBondContact O-N 3.03Å
148T21.4Very low22.1Very low128 Ų128151.8 Ų151.879%0.78581%0.806SS**  trans-78.4129.4165.433.10000109R150T148-R150 PolarHBondContact O-N 2.85Å; T148-R150 VanDerWaalsContact O-N 3.16Å
149P25.7Very low22Very low131 Ų131150.2 Ų150.285%0.85181%0.809SS**  trans-69.4113.7170.9-14.728.9000109.5
150R21.3Very low22Very low226 Ų226150.6 Ų150.685%0.85381%0.812SS**  trans-88143167.4-146.2176.9-173.6161.4-0.2106.9T148T148-R150 PolarHBondContact O-N 2.85Å; T148-R150 VanDerWaalsContact O-N 3.16Å
151E24.3Very low22.1Very low160 Ų160147.7 Ų147.775%0.74882%0.816SS**  trans8878.8166.3-54.5-178.8177.800117
152H23.8Very low22Very low198 Ų198142.3 Ų142.392%0.91781%0.813SS**SBend-165.3107.6110.4-82-52.9000110.3
153G21.4Very low21.8Very low61 Ų61137.7 Ų137.763%0.62981%0.808SS**SBendtrans71.1104.6150.400000121.3
154Y21.2Very low21.8Very low225 Ų225136.4 Ų136.488%0.88281%0.811SS**  trans77.392.7154.5-50.5-76.9000117.5
155S21.4Very low21.5Very low111 Ų111137.5 Ų137.578%0.77681%0.807SS**  58.4121.589.875.40000114.3
156A21.7Very low21.6Very low100 Ų100141.8 Ų141.883%0.82681%0.811SS**  cis-156.2142.122.300000112.2
157Y18.7Very low21.7Very low217 Ų217140 Ų14085%0.85181%0.806SS**  trans-73.2145.8158.8-115.8-100.9000109.8
158C23.9Very low21.6Very low127 Ų127139.7 Ų139.786%0.85881%0.805SS**  trans-158.2130.1132.1-115.40000111.8
159P21.2Very low21.7Very low110 Ų110138.7 Ų138.771%0.71480%0.801SS**  trans-87.4140.4-174.835.3-31.9000111.5
160S20.7Very low21.5Very low107 Ų107138.4 Ų138.475%0.74880%0.8SS**  trans-147.3103.5158.874.10000111.9G162S160-G162 PolarHBondContact O-N 2.73Å
161T22.9Very low21.5Very low150 Ų150137.2 Ų137.292%0.9280%0.802SS**  trans9.1106.2142.941.40000117.1
162G20.1Very low21.5Very low82 Ų82138 Ų13885%0.84581%0.805SS**  trans128.9103.5161.700000113.8S160S160-G162 PolarHBondContact O-N 2.73Å
163G19.7Very low21.3Very low71 Ų71136.4 Ų136.473%0.73280%0.803SS**SBendtrans109142.3168.700000114.5I165G163-I165 PolarHBondContact O-N 3.1Å
164A20.6Very low21.5Very low99 Ų99139.1 Ų139.182%0.81881%0.808SS**  trans-56.4125.7-17500000113
165I19.6Very low21.6Very low156 Ų156136.2 Ų136.280%0.881%0.807SS**  trans-105113.5168.3-55.4175000106.7G163G163-I165 PolarHBondContact O-N 3.1Å
166F22.5Very low21.8Very low169 Ų169139.3 Ų139.374%0.74181%0.81SS**PPolyproline II helixtrans-77.6122.6156.4-80.2-92.2000106.6T168F166-T168 PolarHBondContact O-N 3.05Å
167E20.7Very low21.9Very low185 Ų185143.4 Ų143.486%0.86481%0.812SS**PPolyproline II helixtrans-59.3117.9167.6-69.5174.3154.900108.9
168T21.6Very low22.1Very low120 Ų120137.9 Ų137.974%0.73681%0.811SS**PPolyproline II helixtrans-71.3127.1159.738.30000108.5F166 C170F166-T168 PolarHBondContact O-N 3.05Å; T168-C170 PolarHBondContact O-N 3.29Å
169P22.8Very low22.1Very low108 Ų108139.5 Ų139.570%0.70181%0.809SS**PPolyproline II helixtrans-67.6122.3169.326.5-29.3000109F171P169-F171 PolarHBondContact O-N 2.95Å
170C20.5Very low22.3Very low124 Ų124138.4 Ų138.484%0.83880%0.804SS**PPolyproline II helixtrans-63.7125.3165.7-610000108.4T168T168-C170 PolarHBondContact O-N 3.29Å
171F23.1Very low22.4Very low202 Ų202138.5 Ų138.589%0.88681%0.812SS**PPolyproline II helixtrans-69130.2168.4-73-88.6000108.8P169P169-F171 PolarHBondContact O-N 2.95Å
172E23.1Very low22.5Very low177 Ų177135.3 Ų135.383%0.82780%0.795SS**PPolyproline II helixtrans-67.8128.2162.3-82179.5148.600108.2T174E172-T174 VanDerWaalsContact C-N 3.3Å; E172-T174 PolarHBondContact O-N 3.2Å
173D20.8Very low22.7Very low164 Ų164138.7 Ų138.788%0.87779%0.794SS**  trans-62.189.9165.8-86.1-31.7000109.3N175D173-N175 VanDerWaalsContact C-N 3.3Å; D173-N175 PolarHBondContact O-N 3.13Å
174T25Very low22.9Very low117 Ų117141.4 Ų141.472%0.71880%0.797SS**  trans-74.491.1161.946.50000108.5E172 E176E172-T174 VanDerWaalsContact C-N 3.3Å; E172-T174 PolarHBondContact O-N 3.2Å; T174-E176 PolarHBondContact O-N 2.96Å
175N22.6Very low23.1Very low164 Ų164145.5 Ų145.588%0.87780%0.804SS**  trans-59.287.3153.7-97.7-28.7000108.6D173D173-N175 VanDerWaalsContact C-N 3.3Å; D173-N175 PolarHBondContact O-N 3.13Å
176E25.8Very low23.4Very low176 Ų176142.9 Ų142.982%0.82280%0.8SS**  trans-131.5120.9159.8-71.9-165.917200109T174 A178T174-E176 PolarHBondContact O-N 2.96Å; E176-A178 PolarHBondContact O-N 3.13Å
177Q23.8Very low23.5Very low186 Ų186142.1 Ų142.187%0.86980%0.803SS**  trans-25.2111.5-176.6-76.2161.7-19.900115.6I179Q177-I179 PolarHBondContact O-N 3.19Å
178A23.7Very low23.7Very low101 Ų101140.6 Ų140.684%0.83580%0.801SS**  trans-62.1103.5154.900000108.4E176 S180E176-A178 PolarHBondContact O-N 3.13Å; A178-S180 PolarHBondContact O-N 3.12Å
179I23.4Very low23.9Very low161 Ų161140.1 Ų140.183%0.82680%0.798SS**  trans-69.7110164.8-60.1173.5000105.8Q177 A181Q177-I179 PolarHBondContact O-N 3.19Å; I179-A181 PolarHBondContact O-N 3.37Å
180S25.2Very low23.9Very low87 Ų87143 Ų14361%0.60881%0.807SS**  trans-59.3122.4175.245.60000110A178 S182A178-S180 PolarHBondContact O-N 3.12Å; S180-S182 PolarHBondContact O-N 3.36Å
181A24.1Very low24.1Very low110 Ų110145.4 Ų145.491%0.90980%0.803SS**SBendtrans-69.274.9165.900000109.3I179I179-A181 PolarHBondContact O-N 3.37Å
182S23.4Very low24.1Very low82 Ų82141.1 Ų141.157%0.57380%0.799SS**  trans-172.281.3168.522.80000106.3S180S180-S182 PolarHBondContact O-N 3.36Å
183D24.1Very low24.1Very low154 Ų154140.5 Ų140.582%0.82480%0.799SS**SBendtrans-178.9130.1142.2-89-26.4000111
184T25.4Very low24.1Very low128 Ų128138.5 Ų138.579%0.78579%0.793SS**  trans74.676.5163.558.50000119.5S186T184-S186 PolarHBondContact O-N 3.4Å
185L24Very low24Very low185 Ų185142.8 Ų142.897%0.96981%0.805SS**  trans-69.8104.7130.3-79.5159.1000106.8
186S25.2Very low23.9Very low101 Ų101137.6 Ų137.671%0.70679%0.79SS**  trans-102113.2163.468.80000108.8T184 D188T184-S186 PolarHBondContact O-N 3.4Å; S186-D188 PolarHBondContact O-N 3.38Å; S186-D188 VanDerWaalsContact O-N 3.13Å
187D26Very low23.8Very low152 Ų152135.8 Ų135.881%0.81379%0.791SS**  trans-53.6108.4162-67.9-44.8000109.2
188D23.9Very low23.6Very low153 Ų153132.7 Ų132.782%0.81879%0.785SS**  trans174.4150.7137.6-95.5-31.2000112.2S186S186-D188 PolarHBondContact O-N 3.38Å; S186-D188 VanDerWaalsContact O-N 3.13Å
189V25.6Very low23.4Very low110 Ų110133.5 Ų133.567%0.66778%0.779SS**  trans93.984.9165-1600000117K191V189-K191 HydrophobicContact CG1-CD 4.4Å; V189-K191 HydrophobicContact CG1-CG 4.07Å; V189-K191 PolarHBondContact O-N 3.18Å
190N24.2Very low23.2Very low170 Ų170133 Ų13391%0.90978%0.777SS**  trans-27.895.2136.3-87.7-31.3000113.3
191K24.1Very low23Very low173 Ų173133.6 Ų133.675%0.75278%0.777SS**  trans-145.1131.4153.6-80.4-173.6-177.4168.60109.7V189 I193V189-K191 HydrophobicContact CG1-CD 4.4Å; V189-K191 HydrophobicContact CG1-CG 4.07Å; V189-K191 PolarHBondContact O-N 3.18Å; K191-I193 PolarHBondContact O-N 3.01Å
192S23Very low22.8Very low113 Ų113133.2 Ų133.279%0.7977%0.768SS**  trans-37.6112179.456.30000114.5T194S192-T194 PolarHBondContact O-N 2.64Å
193I22.6Very low22.6Very low164 Ų164138.8 Ų138.884%0.84178%0.778SS**  trans-84.998.1165.5-60.5173.2000106.8K191K191-I193 PolarHBondContact O-N 3.01Å
194T21.8Very low22.6Very low121 Ų121136.6 Ų136.674%0.74277%0.772SS**  trans-53.7135156.724.80000108.7S192 G196S192-T194 PolarHBondContact O-N 2.64Å; T194-G196 PolarHBondContact O-N 3.3Å
195Q23.2Very low22.4Very low208 Ų208136.2 Ų136.297%0.97278%0.775SS**  trans-47.895.1179.2-74.5169.2-4000111.4
196G20.4Very low22.3Very low54 Ų54131 Ų13156%0.55775%0.754SS**  trans-92.1121.3164.500000108.3T194 V198T194-G196 PolarHBondContact O-N 3.3Å; G196-V198 VanDerWaalsContact C-N 3.33Å; G196-V198 PolarHBondContact O-N 3.06Å
197T22Very low22.1Very low139 Ų139133.4 Ų133.485%0.85376%0.757SS**  trans-63.191.316926.80000109.4T199T197-T199 PolarHBondContact O-N 3.46Å; T197-T199 VanDerWaalsContact O-N 3.11Å
198V19.6Very low21.9Very low120 Ų120130.7 Ų130.773%0.72775%0.746SS**  trans-71.1103.8171.2-176.50000107.6G196 L200G196-V198 VanDerWaalsContact C-N 3.33Å; G196-V198 PolarHBondContact O-N 3.06Å; V198-L200 HydrophobicContact CG1-CD1 4.37Å; V198-L200 HydrophobicContact CG1-CG 4.08Å; V198-L200 PolarHBondContact O-N 3.25Å
199T20.8Very low21.8Very low118 Ų118127.9 Ų127.972%0.72474%0.738SS**  trans-86.892.3171.9-42.70000107.4T197 V201T197-T199 PolarHBondContact O-N 3.46Å; T197-T199 VanDerWaalsContact O-N 3.11Å; T199-V201 HydrophobicContact CG2-CG2 4.04Å; T199-V201 PolarHBondContact O-N 3.29Å; T199-V201 VanDerWaalsContact O-N 3.17Å
200L19.4Very low21.7Very low150 Ų150129 Ų12979%0.78575%0.748SS**  trans-7598.1170.3-86.6155.9000108.6V198V198-L200 HydrophobicContact CG1-CD1 4.37Å; V198-L200 HydrophobicContact CG1-CG 4.08Å; V198-L200 PolarHBondContact O-N 3.25Å
201V19.7Very low21.6Very low100 Ų100126.1 Ų126.161%0.60674%0.741SS**  trans-93.692.3166.5-175.90000107.3T199 Y203T199-V201 HydrophobicContact CG2-CG2 4.04Å; T199-V201 PolarHBondContact O-N 3.29Å; T199-V201 VanDerWaalsContact O-N 3.17Å; V201-Y203 HydrophobicContact CG1-CD2 4.14Å; V201-Y203 HydrophobicContact CG1-CE2 3.69Å
202S20.5Very low21.5Very low103 Ų103122.5 Ų122.572%0.7274%0.738SS**  trans-100.3110.3169.950.40000109.1
203Y19.5Very low21.5Very low199 Ų199124 Ų12478%0.7874%0.737SS**  trans-73.2134.6171.9-73.7-87.6000110V201 S205V201-Y203 HydrophobicContact CG1-CD2 4.14Å; V201-Y203 HydrophobicContact CG1-CE2 3.69Å; Y203-S205 PolarHBondContact O-N 2.75Å
204P23.8Very low21.6Very low107 Ų107124.8 Ų124.870%0.69574%0.742SS**  trans-70.4112.217027-29.9000109.7
205S20.4Very low21.7Very low120 Ų120122 Ų12284%0.83974%0.738SS**  trans-96.693.617056.70000109.5Y203Y203-S205 PolarHBondContact O-N 2.75Å
206S22.5Very low21.6Very low77 Ų77120 Ų12054%0.53873%0.732SS.*  trans-153.397.2167.446.30000109.5
207I20.7Very low21.8Very low151 Ų151121.5 Ų121.577%0.77473%0.734SS**  trans-82.3113.6170.9-64.1166.4000106.9
208V22.6Very low21.9Very low95 Ų95123.5 Ų123.558%0.57673%0.734SS**  trans-105.1111.3171.9-176.80000109P210V208-P210 WeakPolarHBondContact O-CD 3.3Å
209S21.9Very low22.2Very low94 Ų94124.8 Ų124.866%0.65774%0.735SS**  trans-77120.4170.4-57.30000109.1S211S209-S211 VanDerWaalsContact C-N 3.34Å; S209-S211 PolarHBondContact O-N 3.06Å
210P22.8Very low22.3Very low133 Ų133124.4 Ų124.486%0.86474%0.737SS**  trans-76.189.8173.130-29.9000108.4V208V208-P210 WeakPolarHBondContact O-CD 3.3Å
211S22.8Very low22.6Very low109 Ų109122.9 Ų122.976%0.76273%0.73SS**  trans-81.6128.216867.30000109.9S209S209-S211 VanDerWaalsContact C-N 3.34Å; S209-S211 PolarHBondContact O-N 3.06Å
212S22.5Very low22.8Very low98 Ų98123.9 Ų123.969%0.68574%0.741SS**SBendtrans-39.4151.517556.70000116.4
213N22.2Very low22.9Very low145 Ų145126.2 Ų126.278%0.77574%0.739SS**SBendtrans76105.8167.2-62-17.5000115.9G215N213-G215 PolarHBondContact O-N 3.43Å
214N24.9Very low23.2Very low179 Ų179124.2 Ų124.296%0.95774%0.741SS**SBendtrans42.370.5157.1-65.3-9.7000114.8
215G22.5Very low23.3Very low62 Ų62122.8 Ų122.864%0.63973%0.731SS**  trans-134.2122.5177.900000111.4N213 S217N213-G215 PolarHBondContact O-N 3.43Å; G215-S217 PolarHBondContact O-N 3.28Å
216I21.6Very low23.5Very low166 Ų166125.2 Ų125.285%0.85173%0.734SS**  trans-64113166.1-64.4161.9000106.5E218I216-E218 PolarHBondContact O-N 2.95Å
217S24.5Very low23.5Very low86 Ų86125.4 Ų125.460%0.60174%0.736SS**  trans-82.9112.1176-55.20000109.7G215G215-S217 PolarHBondContact O-N 3.28Å
218E24.1Very low23.6Very low181 Ų181126.5 Ų126.585%0.84674%0.737SS**  trans-76.8121.9171.7-67.8-177.1165.100109.6I216I216-E218 PolarHBondContact O-N 2.95Å
219I26.4Very low23.7Very low147 Ų147127.8 Ų127.875%0.75475%0.749SS**  trans-99.2106.5171.6-60171.1000106.7
220S23.8Very low23.7Very low111 Ų111131.8 Ų131.878%0.77676%0.757SS**  trans-95.3103.7170.659.60000109.7
221N25.1Very low23.7Very low118 Ų118129 Ų12963%0.63175%0.753SS**  trans-87.2111.3167.3-89.1-11.6000109.1F223N221-F223 HydrophobicContact CB-CD2 4.04Å; N221-F223 HydrophobicContact CB-CE2 4.07Å; N221-F223 PolarHBondContact O-N 3.14Å
222S22.9Very low23.8Very low120 Ų120132.9 Ų132.984%0.83976%0.761SS**  trans-86.893.3166.3590000109.2
223F24.1Very low23.9Very low152 Ų152133.3 Ų133.367%0.66776%0.764SS**  trans-85.3116.6163.6-82.8-85000108.7N221 T225N221-F223 HydrophobicContact CB-CD2 4.04Å; N221-F223 HydrophobicContact CB-CE2 4.07Å; N221-F223 PolarHBondContact O-N 3.14Å; F223-T225 VanDerWaalsContact C-N 3.29Å; F223-T225 PolarHBondContact O-N 2.81Å
224N25.8Very low24Very low157 Ų157136.3 Ų136.384%0.8477%0.77SS**  trans-87.976.6164.9-155.620000108.3
225T25.9Very low24.1Very low78 Ų78133.3 Ų133.348%0.47976%0.764SS.*  trans-106.9123.8160.947.60000106.1F223 S227F223-T225 VanDerWaalsContact C-N 3.29Å; F223-T225 PolarHBondContact O-N 2.81Å; T225-S227 PolarHBondContact O-N 3.32Å
226D23.5Very low24.2Very low170 Ų170139.1 Ų139.191%0.90977%0.771SS**SBendtrans-62.230.8177.4-74.4-41.6000114.5
227S22.3Very low24.4Very low81 Ų81138.3 Ų138.357%0.56677%0.767SS**SBendtrans-151.9112.717257.40000110.8T225T225-S227 PolarHBondContact O-N 3.32Å
228H24.2Very low24.3Very low175 Ų175140.6 Ų140.681%0.8177%0.771SS**  trans14100.4161.9-65.8-71.4000118.8
229C23.5Very low24.3Very low122 Ų122140.1 Ų140.182%0.82477%0.769SS**  trans-123.778.6145.1-80.50000107.8
230E22.4Very low24.2Very low177 Ų177136.1 Ų136.183%0.82775%0.754SS**  trans-71.1138.1168.8-139.6171.2-174.100108.5
231G23.2Very low24.3Very low74 Ų74139.1 Ų139.176%0.76376%0.761SS**  trans-53.9148.4-155.800000117.4
232M25.2Very low24.2Very low191 Ų191141.1 Ų141.194%0.94177%0.767SS**  trans-127.2134.7158.4-84.3-157.6-77.500112.1
233S23.8Very low24.2Very low107 Ų107142.6 Ų142.675%0.74877%0.771SS**  trans-79.4145.1-164.449.20000115.2
234K23.9Very low24.2Very low208 Ų208140 Ų14090%0.90477%0.767SS**  trans40.383.4145.1-62179.7-179.8178.30116.1
235S26.8Very low24.2Very low117 Ų117136.7 Ų136.782%0.81875%0.753SS**  trans-78123.7155.446.70000109.3I237S235-I237 PolarHBondContact O-N 3.37Å
236K24.6Very low24.2Very low184 Ų184136.5 Ų136.580%0.876%0.759SS**  trans-78.6112.9-178.5-162.5178.8-174.4-175.90108.6I238K236-I238 PolarHBondContact O-N 3.35Å
237I26Very low24.4Very low149 Ų149132.6 Ų132.676%0.76474%0.737SS**  trans-70.9110.1171.4-57172000107S235S235-I237 PolarHBondContact O-N 3.37Å
238I22.9Very low24.6Very low134 Ų134135.1 Ų135.169%0.68774%0.744SS**  trans-93.4105.2172.2-57.7176000106.8K236 S240K236-I238 PolarHBondContact O-N 3.35Å; I238-S240 PolarHBondContact O-N 3.28Å
239Q25Very low24.9Very low170 Ų170129.1 Ų129.179%0.79472%0.72SS**  trans-78.4103.8167.6-166.7173.99.200107
240S24.2Very low25Very low63 Ų63124.2 Ų124.244%0.44169%0.691SS.*  trans-91.7139.5168.5550000109.3I238 E242I238-S240 PolarHBondContact O-N 3.28Å; S240-E242 PolarHBondContact O-N 2.78Å
241D24.3Very low25.2Very low174 Ų174123.4 Ų123.493%0.9369%0.692SS**SBendtrans-6714.7178.7-74.8-30.9000114.5
242E23.2Very low25.4Very low160 Ų160124.2 Ų124.275%0.74868%0.684SS**SBendtrans-106.7131.3171.6-66.6-171.2160.100109.8S240 V244S240-E242 PolarHBondContact O-N 2.78Å; E242-V244 PolarHBondContact O-N 3.18Å
243T23.5Very low25.5Very low151 Ų151118.3 Ų118.393%0.92665%0.654SS**SBendtrans-67.344.9-171.342.30000115.6
244V24.6Very low25.5Very low97 Ų97117.7 Ų117.759%0.58866%0.655SS**  trans-146.293.6169.2-173.80000108.9E242 A246E242-V244 PolarHBondContact O-N 3.18Å; V244-A246 PolarHBondContact O-N 3.15Å
245T24.5Very low25.6Very low89 Ų89110.6 Ų110.655%0.54664%0.636SS.*  trans-78.9104.4167.241.30000109.3
246A25.8Very low25.5Very low73 Ų73110.4 Ų110.460%0.60363%0.63SS**  trans-77121.716600000109V244V244-A246 PolarHBondContact O-N 3.15Å
247I27.7Very low25.4Very low88 Ų88108.1 Ų108.145%0.45163%0.633SS.*EExtended strand (participates in β ladder)trans-96.1113173.1-55.8175.6000107.1V249 I301I247-V249 HydrophobicContact CG2-CG2 3.98Å; I247-V249 PolarHBondContact O-N 2.81Å; I247-I301 HydrophobicContact CD1-CD1 3.81Å
248D28.3Very low25.2Very low134 Ų134104.8 Ų104.872%0.71764%0.636SS**EExtended strand (participates in β ladder)trans-82.7100.5173.7-164.5-4.2000109.2G250D248-G250 PolarHBondContact OD1-N 3.07Å
249V29.4Very low25.3Very low49 Ų49101.9 Ų101.930%0.29762%0.624SS.*  trans-91.214.9178.3-153.70000111I247 N251 C252 V299I247-V249 HydrophobicContact CG2-CG2 3.98Å; I247-V249 PolarHBondContact O-N 2.81Å; V249-N251 PolarHBondContact O-N 3.01Å; V249-C252 PolarHBondContact O-N 3.41Å; V249-V299 HydrophobicContact CG2-CG2 4.49Å
250G24.8Very low25.2Very low20 Ų2096.9 Ų96.921%0.20661%0.608CS.*THydrogen-bonded Turntrans-62.3-2.3-16600000118D248D248-G250 PolarHBondContact OD1-N 3.07Å
251N26.9Very low25.2Very low160 Ų160100.2 Ų100.286%0.85663%0.628SS**THydrogen-bonded Turntrans-129.414.2-175.7-90.9-13.1000116.1V249V249-N251 PolarHBondContact O-N 3.01Å
252C27.1Very low25.2Very low90 Ų9099.2 Ų99.261%0.60862%0.623SS**SBendtrans-89.3-5.5175.7-72.10000114.6V249V249-C252 PolarHBondContact O-N 3.41Å
253F27.7Very low25.2Very low67 Ų6795.5 Ų95.529%0.29461%0.611SS.*  trans-135.965.9-175.1-63-83.8000111.6A255 L267 I295F253-A255 PolarHBondContact O-N 3.37Å; F253-A255 VanDerWaalsContact O-N 3.11Å; F253-L267 HydrophobicContact CE1-CD2 4.35Å; F253-L267 HydrophobicContact CZ-CD2 4.02Å; F253-I295 HydrophobicContact CB-CD1 3.77Å
254A24.5Very low25.3Very low95 Ų9592.6 Ų92.679%0.78560%0.597SS**  trans-76.385.7153.300000106.7T256A254-T256 PolarHBondContact O-N 3.2Å; A254-T256 VanDerWaalsContact O-N 3.15Å
255A25.8Very low25.3Very low59 Ų5993.5 Ų93.549%0.48860%0.597SS.*  trans-58.3121.5166.700000107.1F253F253-A255 PolarHBondContact O-N 3.37Å; F253-A255 VanDerWaalsContact O-N 3.11Å
256T24.6Very low25.4Very low113 Ų11393.7 Ų93.769%0.69360%0.598SS**  trans-49.3129175.220000108.7A254 G258A254-T256 PolarHBondContact O-N 3.2Å; A254-T256 VanDerWaalsContact O-N 3.15Å; T256-G258 PolarHBondContact O-N 3.46Å
257P22Very low25.5Very low135 Ų13594.8 Ų94.888%0.87759%0.594SS**THydrogen-bonded Turntrans-62.4112.917725.1-30.6000107.9
258G22.7Very low25.5Very low79 Ų7994.4 Ų94.481%0.81460%0.597SS**THydrogen-bonded Turntrans148-2.5-174.700000116T256 S260T256-G258 PolarHBondContact O-N 3.46Å; G258-S260 PolarHBondContact O-N 3.39Å
259V24.2Very low25.5Very low73 Ų7395.7 Ų95.744%0.44260%0.598SS.*  trans-75.4116.3177.4-163.30000110V263V259-V263 HydrophobicContact CG1-CB 3.45Å; V259-V263 VanDerWaalsContact CG1-CB 3.45Å; V259-V263 HydrophobicContact CG1-CG1 4.01Å; V259-V263 HydrophobicContact CG1-CG2 3.65Å
260S23.3Very low25.3Very low66 Ų6698 Ų9846%0.46261%0.613SS.*  trans-63.3153.517557.40000111G258 D262 V263G258-S260 PolarHBondContact O-N 3.39Å; S260-D262 PolarHBondContact O-N 3.05Å; S260-V263 PolarHBondContact O-N 3.33Å; S260-V263 WeakPolarHBondContact OG-CG2 3.25Å
261P23.9Very low25.3Very low133 Ų133102.8 Ų102.886%0.86463%0.633SS**THydrogen-bonded Turntrans-59.8-2.5-17721.4-32.7000115.8
262D24Very low25.2Very low152 Ų152100 Ų10081%0.81363%0.626SS**THydrogen-bonded Turntrans-111.39.8-176.2-66.8-37.8000114.5S260S260-D262 PolarHBondContact O-N 3.05Å
263V23.3Very low25.3Very low82 Ų82100.9 Ų100.950%0.49762%0.621SS.*  trans-92.8114.5177.5-173.40000110.8V259 S260 I265V259-V263 HydrophobicContact CG1-CB 3.45Å; V259-V263 VanDerWaalsContact CG1-CB 3.45Å; V259-V263 HydrophobicContact CG1-CG1 4.01Å; V259-V263 HydrophobicContact CG1-CG2 3.65Å; S260-V263 PolarHBondContact O-N 3.33Å; S260-V263 WeakPolarHBondContact OG-CG2 3.25Å; V263-I265 PolarHBondContact O-N 2.92Å; V263-I265 VanDerWaalsContact O-N 3.14Å
264S25.5Very low25.1Very low91 Ų91103 Ų10364%0.63663%0.63SS**  trans-65.2109.4171.358.50000110.8T266S264-T266 PolarHBondContact O-N 3.19Å
265I25.9Very low25.1Very low115 Ų115104.4 Ų104.459%0.5963%0.629SS**  trans-73.9116.9170.2-59.1173.1000107.8V263V263-I265 PolarHBondContact O-N 2.92Å; V263-I265 VanDerWaalsContact O-N 3.14Å
266T26.8Very low25Very low93 Ų93107.9 Ų107.957%0.57163%0.633SS**  trans-87.1110.6173.1-47.30000107.9R61 S264R61-T266 PolarHBondContact NH2-OG1 2.91Å; S264-T266 PolarHBondContact O-N 3.19Å
267L27.8Very low25Very low97 Ų97104.7 Ų104.751%0.50861%0.612SS.*  trans-69.4134.3168.6-69165.3000108F253 E269F253-L267 HydrophobicContact CE1-CD2 4.35Å; F253-L267 HydrophobicContact CZ-CD2 4.02Å; L267-E269 PolarHBondContact O-N 3.21Å
268P26.9Very low25.1Very low80 Ų80100.4 Ų100.452%0.51959%0.585SS.*  trans-59129.4172.821.8-29000109.1V270P268-V270 HydrophobicContact CG-CG2 4.49Å; P268-V270 PolarHBondContact O-N 3.02Å
269E28.1Very low25.2Very low160 Ų160100.3 Ų100.375%0.74857%0.565SS**  trans-62.888.5166.4-91-177.2149.500108.3L267 L271L267-E269 PolarHBondContact O-N 3.21Å; E269-L271 PolarHBondContact O-N 3.1Å
270V26.6Very low25.2Very low98 Ų98100.1 Ų100.159%0.59457%0.565SS**  trans-80.847.4164.8-165.40000108.8P268 F274P268-V270 HydrophobicContact CG-CG2 4.49Å; P268-V270 PolarHBondContact O-N 3.02Å; V270-F274 HydrophobicContact CG1-CE2 4.23Å
271L24.5Very low25.3Very low120 Ų120101.2 Ų101.263%0.62856%0.562SS**  trans-114.72.8-172-79.2175.2000114.4E269 I279E269-L271 PolarHBondContact O-N 3.1Å; L271-I279 HydrophobicContact CD2-CD1 4.26Å
272S24.8Very low25.5Very low101 Ų10199.7 Ų99.771%0.70655%0.55SS**SBendtrans-93.3-14.4-179.557.50000115.9
273E27.7Very low25.5Very low109 Ų10997.9 Ų97.951%0.50954%0.54SS..SBendtrans-118.1-6.7-177.8-76.5-171.1156.600116T275E273-T275 VanDerWaalsContact C-N 3.28Å; E273-T275 PolarHBondContact O-N 3.16Å
274F25.3Very low25.7Very low111 Ų11197.5 Ų97.549%0.48755%0.546SS..  trans-92.454.2172-70-69.1000112.2V270 K276 L277V270-F274 HydrophobicContact CG1-CE2 4.23Å; F274-K276 PolarHBondContact O-N 3.08Å; F274-L277 HydrophobicContact CB-CB 4.31Å; F274-L277 HydrophobicContact CD1-CB 4.36Å; F274-L277 HydrophobicContact CD1-CD1 3.19Å; F274-L277 HydrophobicContact CD1-CG 3.84Å; F274-L277 HydrophobicContact CE1-CD1 3.42Å; F274-L277 VanDerWaalsContact CE1-CD1 3.42Å; F274-L277 HydrophobicContact CE1-CG 4.47Å; F274-L277 HydrophobicContact CG-CD1 4.03Å; F274-L277 HydrophobicContact CZ-CD1 4.41Å
275T23.7Very low25.6Very low126 Ų12697.9 Ų97.977%0.77355%0.549SS*.THydrogen-bonded Turntrans-71.262.4164.625.40000110.1E273E273-T275 VanDerWaalsContact C-N 3.28Å; E273-T275 PolarHBondContact O-N 3.16Å
276K24.1Very low25.5Very low131 Ų131100.4 Ų100.457%0.5756%0.562SS**THydrogen-bonded Turntrans1694.9159-99.2168.3-177.4179.70115.2F274F274-K276 PolarHBondContact O-N 3.08Å
277L24.4Very low25.4Very low46 Ų46103.1 Ų103.124%0.24157%0.57CS.*  trans-97.1109.5171-64.9179.7000109.4F274 I279 I301F274-L277 HydrophobicContact CB-CB 4.31Å; F274-L277 HydrophobicContact CD1-CB 4.36Å; F274-L277 HydrophobicContact CD1-CD1 3.19Å; F274-L277 HydrophobicContact CD1-CG 3.84Å; F274-L277 HydrophobicContact CE1-CD1 3.42Å; F274-L277 VanDerWaalsContact CE1-CD1 3.42Å; F274-L277 HydrophobicContact CE1-CG 4.47Å; F274-L277 HydrophobicContact CG-CD1 4.03Å; F274-L277 HydrophobicContact CZ-CD1 4.41Å; L277-I279 VanDerWaalsContact C-N 3.27Å; L277-I279 PolarHBondContact O-N 3.45Å; L277-I301 HydrophobicContact CB-CG2 4.31Å; L277-I301 HydrophobicContact CD1-CD1 4.17Å; L277-I301 HydrophobicContact CD1-CG2 3.77Å; L277-I301 HydrophobicContact CD2-CG2 3.64Å; L277-I301 HydrophobicContact CG-CG2 4.13Å
278S23.5Very low25.1Very low46 Ų46105.6 Ų105.632%0.32258%0.583SS.*  trans-6991.6166.758.70000108.2T280 S302S278-T280 VanDerWaalsContact C-N 3.31Å; S278-T280 PolarHBondContact O-N 3.45Å; S278-S302 PolarHBondContact OG-O 3.19Å
279I25.2Very low24.8Very low77 Ų77105.5 Ų105.540%0.39558%0.581SS.*  trans-65.197.8166-57.6171.1000105.7L271 L277 V282L271-I279 HydrophobicContact CD2-CD1 4.26Å; L277-I279 VanDerWaalsContact C-N 3.27Å; L277-I279 PolarHBondContact O-N 3.45Å; I279-V282 HydrophobicContact CG2-CG2 3.75Å
280T23.6Very low24.6Very low69 Ų69106.5 Ų106.542%0.42359%0.588SS.*  trans-89.4-8.8-175.2360000113.9S278 S302S278-T280 VanDerWaalsContact C-N 3.31Å; S278-T280 PolarHBondContact O-N 3.45Å; T280-S302 PolarHBondContact OG1-OG 2.81Å; T280-S302 VanDerWaalsContact OG1-OG 3.11Å
281E26.3Very low24.4Very low89 Ų89109.7 Ų109.742%0.41660%0.596SS.*  trans-167.7133.4173.4-117.3159.1-176.500110.9W439E281-W439 PolarHBondContact OE1-NE1 2.72Å; E281-W439 VanDerWaalsContact OE1-NE1 3.15Å; E281-W439 PolarHBondContact OE2-NE1 3.15Å
282V27.4Very low24.3Very low100 Ų100109.1 Ų109.161%0.60660%0.602SS**  trans-114.498.9166.61790000106.1I279 A284I279-V282 HydrophobicContact CG2-CG2 3.75Å; V282-A284 PolarHBondContact O-N 3.28Å
283D24.7Very low24.2Very low114 Ų114109.6 Ų109.661%0.6161%0.605SS**  trans-80104.9168.8-96.2-23.1000108.5
284A26.8Very low24Very low74 Ų74108.3 Ų108.361%0.61261%0.613SS**  trans-100.1106167.900000108.1V282V282-A284 PolarHBondContact O-N 3.28Å
285S24.3Very low24Very low100 Ų100106.4 Ų106.470%0.69961%0.607SS**  trans-101.2125168.8650000109.5
286I23.9Very low24.1Very low167 Ų167105.6 Ų105.686%0.85660%0.602SS**  trans-96.495.8170.2-59.4174.2000105.9N288I286-N288 PolarHBondContact O-N 3.21Å
287M23.4Very low24.3Very low151 Ų151101.8 Ų101.874%0.74459%0.586SS**  trans-80.3109.4168-80.2-176.954.700108.6V289M287-V289 VanDerWaalsContact C-N 3.27Å; M287-V289 HydrophobicContact CB-CG2 4.18Å; M287-V289 HydrophobicContact CE-CG2 4.02Å; M287-V289 PolarHBondContact O-N 3.25Å
288N21.7Very low24.5Very low148 Ų148103 Ų10379%0.79160%0.595SS**  trans-73.683.7172-163.74.5000108.9I286I286-N288 PolarHBondContact O-N 3.21Å
289V22.1Very low24.6Very low79 Ų79102.9 Ų102.948%0.47959%0.592SS.*  trans-99.1114.9169.8-170.30000106.6M287 E291M287-V289 VanDerWaalsContact C-N 3.27Å; M287-V289 HydrophobicContact CB-CG2 4.18Å; M287-V289 HydrophobicContact CE-CG2 4.02Å; M287-V289 PolarHBondContact O-N 3.25Å; V289-E291 PolarHBondContact O-N 3.01Å
290M22.1Very low24.7Very low180 Ų180106.7 Ų106.789%0.88760%0.603SS**SBendtrans-59.40.5-172.9-84.4-118.7-6600116.2
291E23Very low24.8Very low165 Ų165106.1 Ų106.177%0.77160%0.596SS**SBendtrans-146119176.2-65.6179.3163.200107.6V289V289-E291 PolarHBondContact O-N 3.01Å
292S22.8Very low24.8Very low108 Ų108104.2 Ų104.276%0.75559%0.593SS**  trans68100.5-174.370.20000116.6A294S292-A294 PolarHBondContact O-N 3.19Å; S292-A294 VanDerWaalsContact O-N 3.12Å
293C22.5Very low24.8Very low112 Ų112102.3 Ų102.376%0.75758%0.579SS**  trans-75.493.1166.5-75.20000109.7
294A22.8Very low24.9Very low82 Ų82103.5 Ų103.568%0.67858%0.579SS**  trans-93.6116.3163.100000108.6S292 T296S292-A294 PolarHBondContact O-N 3.19Å; S292-A294 VanDerWaalsContact O-N 3.12Å; A294-T296 PolarHBondContact O-N 3.08Å
295I25.2Very low24.8Very low70 Ų70105.2 Ų105.236%0.35957%0.574SS.*  trans-87.991.6173-63172.7000107.5F253 K297F253-I295 HydrophobicContact CB-CD1 3.77Å; I295-K297 HydrophobicContact CG2-CD 4.19Å; I295-K297 HydrophobicContact CG2-CG 3.83Å; I295-K297 PolarHBondContact O-N 2.66Å
296T26.6Very low24.9Very low110 Ų110107.9 Ų107.968%0.67557%0.573SS**  trans-81.793.9166.6180000108.9A294A294-T296 PolarHBondContact O-N 3.08Å
297K28.6Very low25.1Very low51 Ų51106 Ų10622%0.22257%0.57CS.*  trans-92.5113.2168.9-86.6-179.1178.2-177.20109.7I295I295-K297 HydrophobicContact CG2-CD 4.19Å; I295-K297 HydrophobicContact CG2-CG 3.83Å; I295-K297 PolarHBondContact O-N 2.66Å
298T27.5Very low25.1Very low71 Ų71104.2 Ų104.244%0.43657%0.573SS.*EExtended strand (participates in β ladder)trans-99.6114.5168.5-41.70000108.5Y300T298-Y300 HydrophobicContact CG2-CD2 4.47Å; T298-Y300 HydrophobicContact CG2-CE2 3.83Å
299V26.3Very low25.1Very low43 Ų43100.3 Ų100.326%0.26156%0.561SS.*EExtended strand (participates in β ladder)trans-100.8118.5176.6-178.30000109V249 I301V249-V299 HydrophobicContact CG2-CG2 4.49Å; V299-I301 HydrophobicContact CG1-CG1 4.25Å
300Y26.7Very low25.1Very low158 Ų158103.4 Ų103.462%0.6258%0.58SS**  trans-92.7113.3173.9-68.3-84.3000109.9T298T298-Y300 HydrophobicContact CG2-CD2 4.47Å; T298-Y300 HydrophobicContact CG2-CE2 3.83Å
301I27.3Very low25Very low57 Ų57100.9 Ų100.929%0.29257%0.574SS.*  trans-95.3112.9174.8-60173.4000107.2I247 L277 V299I247-I301 HydrophobicContact CD1-CD1 3.81Å; L277-I301 HydrophobicContact CB-CG2 4.31Å; L277-I301 HydrophobicContact CD1-CD1 4.17Å; L277-I301 HydrophobicContact CD1-CG2 3.77Å; L277-I301 HydrophobicContact CD2-CG2 3.64Å; L277-I301 HydrophobicContact CG-CG2 4.13Å; V299-I301 HydrophobicContact CG1-CG1 4.25Å
302S26.1Very low24.8Very low48 Ų48103.4 Ų103.434%0.33658%0.577SS.*  trans-103.5115.517078.80000109.3S278 T280 K304S278-S302 PolarHBondContact OG-O 3.19Å; T280-S302 PolarHBondContact OG1-OG 2.81Å; T280-S302 VanDerWaalsContact OG1-OG 3.11Å; S302-K304 PolarHBondContact O-N 3.41Å
303D26Very low24.8Very low61 Ų61106.6 Ų106.633%0.32658%0.584SS.*  trans-85102.6175.1-162.1-22.9000109.5Q305 F306D303-Q305 PolarHBondContact O-N 3.06Å; D303-Q305 WeakPolarHBondContact OD1-CB 3.17Å; D303-Q305 PolarHBondContact OD1-N 3.3Å; D303-F306 HydrophobicContact CB-CD2 4.09Å; D303-F306 WeakPolarHBondContact OD2-CD2 3.33Å; D303-F306 WeakPolarHBondContact OD2-CE2 3.26Å
304K27.9Very low24.7Very low139 Ų139105.5 Ų105.560%0.60458%0.584SS**THydrogen-bonded Turntrans-74.9-2.5175.8-72.7-174.6178.3176.70113S302S302-K304 PolarHBondContact O-N 3.41Å
305Q25.2Very low24.6Very low110 Ų110110.5 Ų110.551%0.51459%0.59SS.*THydrogen-bonded Turntrans-93.7-10.4-176.2-60.2-166.2-0.200114.9D303D303-Q305 PolarHBondContact O-N 3.06Å; D303-Q305 WeakPolarHBondContact OD1-CB 3.17Å; D303-Q305 PolarHBondContact OD1-N 3.3Å
306F26.4Very low24.5Very low155 Ų155113.4 Ų113.468%0.6861%0.613SS**G310 helixtrans-90.93.3178.4-78.6-77.8000116.1D303 S308D303-F306 HydrophobicContact CB-CD2 4.09Å; D303-F306 WeakPolarHBondContact OD2-CD2 3.33Å; D303-F306 WeakPolarHBondContact OD2-CE2 3.26Å; F306-S308 VanDerWaalsContact C-N 3.27Å; F306-S308 PolarHBondContact O-N 2.81Å
307T26.6Very low24.2Very low128 Ų128115.2 Ų115.279%0.78562%0.617SS**G310 helixtrans-81.74.6-178.248.90000115.4
308S23.6Very low23.8Very low114 Ų114118.7 Ų118.780%0.79764%0.643SS**G310 helixtrans-113.90.5-179.565.10000115.7F306F306-S308 VanDerWaalsContact C-N 3.27Å; F306-S308 PolarHBondContact O-N 2.81Å
309A21.6Very low23.6Very low66 Ų66123.1 Ų123.155%0.54566%0.658SS.*SBendtrans-131.879.8-178.200000111.6
310T22.7Very low23.3Very low144 Ų144126.2 Ų126.288%0.88368%0.677SS**  176.1117.1121.832.80000111.1
311V20Very low23.2Very low126 Ų126127.2 Ų127.276%0.76469%0.688SS**  trans-64137157.4164.90000108.9
312R19.6Very low23Very low218 Ų218130.7 Ų130.782%0.82371%0.712SS**  trans83.3128.6162.1-74.5166.4174.6177.4-2.7119.1
313L21.4Very low22.9Very low175 Ų175137.1 Ų137.192%0.91674%0.736SS**  trans84.8132.9159.6-56.3151.2000114.4
314A20.9Very low22.7Very low90 Ų90141.1 Ų141.174%0.74476%0.758SS**  cis-154.6167.51.300000109
315K20.6Very low22.5Very low186 Ų186140.6 Ų140.681%0.80977%0.767SS**  trans-47.8142.5179.1-67.7169.6176.2175.70112.3I317K315-I317 PolarHBondContact O-N 3.31Å
316P22.9Very low22.4Very low131 Ų131142.4 Ų142.485%0.85179%0.785SS**  trans-67.1110.9169.327.5-29.5000108.4
317I19.9Very low22.4Very low148 Ų148142 Ų14276%0.75979%0.79SS**  trans-81.8122.8165.9-66.5172.5000105.9K315 H319K315-I317 PolarHBondContact O-N 3.31Å; I317-H319 PolarHBondContact O-N 3.13Å
318V20.6Very low22.3Very low124 Ų124140.7 Ų140.775%0.75279%0.786SS**  trans-55.6117.4167.7174.10000108.3
319H22.6Very low22.4Very low164 Ų164141.9 Ų141.976%0.75979%0.788SS**  trans-127101.9157.7-118.7-35.7000109.5I317I317-H319 PolarHBondContact O-N 3.13Å
320T20.8Very low22.6Very low109 Ų109147.7 Ų147.767%0.66980%0.801SS**  trans-74.5119.8155.540.60000107.8
321E24.2Very low22.6Very low178 Ų178147 Ų14783%0.83280%0.799SS**  trans-103.698.3159.8-70-166.8165.900107.9
322T23.4Very low22.9Very low130 Ų130146 Ų14680%0.79880%0.797SS**  trans-81.7115.6157.438.30000107.2
323E23.1Very low23.2Very low183 Ų183141.8 Ų141.886%0.85580%0.796SS**  trans-65148.5161.7-76.8-171.2149.500110.1
324D22.9Very low23.4Very low145 Ų145138.5 Ų138.578%0.77579%0.788SS**SBendtrans91.399.9172.5-67.1-19000120.1
325T22.8Very low23.7Very low129 Ų129139.1 Ų139.179%0.79179%0.787SS**  trans88.389.8139.559.60000118.6
326V24.7Very low24Very low147 Ų147134.5 Ų134.589%0.89178%0.783SS**  trans-146.6128.4131.5-169.40000110.4
327D25.6Very low24.2Very low147 Ų147136.8 Ų136.879%0.78678%0.783SS**  trans-49.1138.6173-75.2-52.7000114.6
328S24.1Very low24.6Very low101 Ų101135.1 Ų135.171%0.70678%0.784SS**  trans1.113114949.40000119
329V25.4Very low25.1Very low139 Ų139134.6 Ų134.684%0.84279%0.786SS**  171.4138.9105.9162.20000111.2
330K25.9Very low25.6Very low188 Ų188130.3 Ų130.382%0.81779%0.786SS**  trans-41.8155.5-178.5-74.1167.9168.9172.20118.8
331P23.7Very low26.3Very low130 Ų130134.1 Ų134.184%0.84479%0.793SS**  trans-94.8130.9163.235.5-25.9000112.1
332S26.5Very low26.7Very low104 Ų104133.3 Ų133.373%0.72779%0.794SS**  trans-150.7114.7161.452.80000110.9
333T25.3Very low27.3Very low129 Ų129130.9 Ų130.979%0.79180%0.795SS**  trans29.7133.3145.954.10000121.8
334S25.6Very low27.8Very low106 Ų106133.8 Ų133.874%0.74180%0.798SS**  trans104.2120.1137.775.40000119.7
335S27.2Very low28.6Very low104 Ų104134.7 Ų134.773%0.72780%0.803SS**  trans59.3128.5140.759.90000122.1
336A26.4Very low29.4Very low89 Ų89137.2 Ų137.274%0.73680%0.803SS**  trans71149.9147.500000115.5
337Q26.9Very low29.8Very low179 Ų179138.2 Ų138.284%0.83680%0.798SS**  cis-174.5151-10.9-113.9178.2-31.700102.4
338S29.7Very low30.5Very low113 Ų113141.2 Ų141.279%0.7980%0.798SS**  trans70.7137.2153.7-1600000116.1
339S31Very low31.1Very low112 Ų112147.7 Ų147.778%0.78381%0.807SS**  cis-177.1137.5-443.30000105
340G31.8Very low31.6Very low75 Ų75144.6 Ų144.677%0.77380%0.803SS**  trans-156.773.3178.800000113.2
341K35.6Very low31.9Very low188 Ų188143.1 Ų143.182%0.81781%0.805SS**  trans55.7107.8148.5-69.9-175.6175.31760118.5
342L33.6Very low32.3Very low162 Ų162143.2 Ų143.285%0.84880%0.803SS**  8593101.5-77.3163000114.1
343G35.4Very low32.6Very low79 Ų79145.8 Ų145.881%0.81481%0.807SS**  trans-155.579.2160.500000109.1N345G343-N345 PolarHBondContact O-N 3.25Å
344R33.2Very low32.7Very low243 Ų243144.5 Ų144.592%0.91780%0.804SS**  trans-64117.2169.8-96.5176.6165.3165.4-4.1108.1
345N39.8Very low32.7Very low164 Ų164145.9 Ų145.988%0.87781%0.808SS**  trans-143.4142.4142.1-119.2-15.4000111.7G343G343-N345 PolarHBondContact O-N 3.25Å
346K39.4Very low32.9Very low182 Ų182150 Ų15079%0.79182%0.816SS**  trans-76133.6-157.4-69.8173.4173.2175.70113.2
347Q34.3Very low33.2Very low168 Ų168152.5 Ų152.579%0.78582%0.822SS**  59.1110.5117-152.8180900118.4
348R39.6Very low33.5Very low211 Ų211149.7 Ų149.780%0.79682%0.819SS**  177128.5113.8-103178.1165.3176.4-3.7114
349R37.7Very low33.4Very low236 Ų236150.7 Ų150.789%0.89182%0.821SS**  trans64.6129.2153.6-63.8179.9172.6-175.7-3.5116.2
350G35.4Very low33.3Very low74 Ų74150.3 Ų150.376%0.76382%0.818SS**  cis154.7119.79.400000105.9
351N31.9Very low33.1Very low158 Ų158156 Ų15685%0.84583%0.825SS**  trans-76.1136.3176.1-75.7-13.7000110.2
352T31.2Very low32.8Very low131 Ų131150.8 Ų150.880%0.80482%0.824SS**  157.2153.7124.7380000112.1
353L34Very low32.5Very low158 Ų158148.3 Ų148.383%0.82782%0.821SS**  trans91.695.6174.7-61.1146.4000114.2
354S26.8Very low32.2Very low102 Ų102152.3 Ų152.371%0.71382%0.823SS**  73.2126.475.7-62.90000114.1
355T26.5Very low31.9Very low136 Ų136145.9 Ų145.983%0.83482%0.816SS**  trans64.4115.6161.450.30000118.8
356E31.1Very low31.3Very low191 Ų191144 Ų14489%0.89382%0.815SS**  trans-165.4105.3132.5-106.4172.4-153.600110.4
357T32.6Very low30.8Very low140 Ų140140.6 Ų140.686%0.85981%0.811SS**  trans-82.7143.2148.713.40000107.8
358P33.9Very low30.6Very low120 Ų120141.3 Ų141.378%0.77982%0.819SS**  trans-132.2112.7150.631.8-15.4000112.3
359T27.5Very low29.8Very low135 Ų135134.7 Ų134.783%0.82881%0.809SS**  trans-82.4123.4142.339.30000108.3
360S27.8Very low29.3Very low104 Ų104128.3 Ų128.373%0.72780%0.801SS**  151.8129.2128.264.60000113.5
361Q27.7Very low28.7Very low194 Ų194136 Ų13691%0.90781%0.807SS**  trans54.3112.1140.3-67.6-179.5-29.600120
362G30.3Very low28.4Very low78 Ų78134.1 Ų134.180%0.80480%0.801SS**  trans-149100.3156.700000108.9
363S25.7Very low28.1Very low111 Ų111139.6 Ų139.678%0.77681%0.807SS**  trans-62133.7165400000110.5
364D30.3Very low27.6Very low163 Ų163136.5 Ų136.587%0.87280%0.799SS**  trans-165.1129.7139.4-95.2-27000112
365S26.4Very low27.5Very low108 Ų108140 Ų14076%0.75580%0.804SS**  trans-67.3143.3173.747.90000112.6
366S28Very low27.4Very low123 Ų123138.9 Ų138.986%0.8680%0.797SS**  trans-155.4149.5147.8-83.20000112.1
367P29Very low27.1Very low111 Ų111136.7 Ų136.772%0.72179%0.79SS**  trans-93.6155.1-149.235.9-33.8000114A369P367-A369 PolarHBondContact O-N 3.5Å
368I29.3Very low26.7Very low184 Ų184134.8 Ų134.894%0.94477%0.774SS**  trans-67.692.4165.5-60.8165.2000107.5
369A23.4Very low26.2Very low72 Ų72140.1 Ų140.160%0.59578%0.778SS**  trans-141.1113.2171.200000110.7P367P367-A369 PolarHBondContact O-N 3.5Å
370S25.7Very low26.1Very low102 Ų102138.6 Ų138.671%0.71376%0.764SS**  trans44.4120.5140.661.50000119.3
371R24.4Very low25.9Very low234 Ų234142.4 Ų142.488%0.88377%0.771SS**  trans143.7132.3154.6-82.7155.6165.2179.5-5107.5
372T25.7Very low25.8Very low120 Ų120138.8 Ų138.874%0.73676%0.757SS**  cis-169.6139.720.85.90000106.5S374T372-S374 VanDerWaalsContact C-N 3.34Å; T372-S374 PolarHBondContact O-N 3.17Å
373R23.8Very low25.6Very low245 Ų245143.2 Ų143.293%0.92576%0.756SS**  trans-63.596.3160.6-84.9-178.5171.4-172-2.3107.7H375R373-H375 PolarHBondContact O-N 2.9Å
374S24.5Very low25.6Very low94 Ų94147.6 Ų147.666%0.65776%0.761SS**  trans-81.2112.1170.343.90000108.7T372 T376T372-S374 VanDerWaalsContact C-N 3.34Å; T372-S374 PolarHBondContact O-N 3.17Å; S374-T376 PolarHBondContact O-N 3.19Å
375H23.4Very low25.2Very low176 Ų176143.8 Ų143.882%0.81575%0.753SS**  trans-64.1100.2159.8-74.9-83.1000107.6R373 I377R373-H375 PolarHBondContact O-N 2.9Å; H375-I377 PolarHBondContact O-N 3.32Å
376T24.6Very low25.2Very low111 Ų111144.1 Ų144.168%0.68175%0.752SS**  trans-72.695.1170.2-39.60000107.9S374 L378S374-T376 PolarHBondContact O-N 3.19Å; T376-L378 HydrophobicContact CG2-CD2 4.33Å; T376-L378 PolarHBondContact O-N 2.97Å; T376-L378 VanDerWaalsContact O-N 3.16Å
377I25.2Very low25.1Very low145 Ų145147 Ų14774%0.74476%0.757SS**  trans-69.5107.8166.5-60.8173.5000106.3H375 R379H375-I377 PolarHBondContact O-N 3.32Å; I377-R379 PolarHBondContact O-N 3.23Å
378L25Very low25Very low101 Ų101150.5 Ų150.553%0.52976%0.761SS.*  trans-70.296.7172-65.4174.7000108.4T376 L380T376-L378 HydrophobicContact CG2-CD2 4.33Å; T376-L378 PolarHBondContact O-N 2.97Å; T376-L378 VanDerWaalsContact O-N 3.16Å; L378-L380 PolarHBondContact O-N 3.32Å
379R23.6Very low25Very low232 Ų232147 Ų14788%0.87575%0.753SS**  trans-67.1123.1164.5-81.1-175.7169.8173.2-2.3108.2I377 E381I377-R379 PolarHBondContact O-N 3.23Å; R379-E381 PolarHBondContact O-N 2.88Å
380L25.6Very low25.1Very low102 Ų102148.3 Ų148.353%0.53476%0.764SS.*  trans-71.898.9168.4-128.388.7000107.5L378 I382 P460L378-L380 PolarHBondContact O-N 3.32Å; L380-I382 VanDerWaalsContact C-N 3.27Å; L380-I382 HydrophobicContact CD2-CD1 3.48Å; L380-I382 VanDerWaalsContact CD2-CD1 3.48Å; L380-I382 HydrophobicContact CD2-CG1 3.52Å; L380-I382 HydrophobicContact CG-CG1 4.21Å; L380-I382 PolarHBondContact O-N 3.39Å; L380-P460 HydrophobicContact CD2-CG 3.95Å
381E22.1Very low25.1Very low185 Ų185151.5 Ų151.586%0.86477%0.771SS**  trans-79.787.1155.2-93.3177.5166.700107R379 E383R379-E381 PolarHBondContact O-N 2.88Å; E381-E383 PolarHBondContact O-N 2.97Å; E381-E383 VanDerWaalsContact O-N 3.13Å
382I25.5Very low25.2Very low118 Ų118144.3 Ų144.361%0.60576%0.761SS**  trans-73.392.8154.5-61.7171.8000104.4L380 K384L380-I382 VanDerWaalsContact C-N 3.27Å; L380-I382 HydrophobicContact CD2-CD1 3.48Å; L380-I382 VanDerWaalsContact CD2-CD1 3.48Å; L380-I382 HydrophobicContact CD2-CG1 3.52Å; L380-I382 HydrophobicContact CG-CG1 4.21Å; L380-I382 PolarHBondContact O-N 3.39Å; I382-K384 PolarHBondContact O-N 3.42Å; I382-K384 VanDerWaalsContact O-N 3.1Å
383E26.7Very low25.2Very low171 Ų171148.3 Ų148.380%0.79977%0.768SS**  trans-54.3119158.3-88.1-170.3144.100107.5E381 A385E381-E383 PolarHBondContact O-N 2.97Å; E381-E383 VanDerWaalsContact O-N 3.13Å; E383-A385 PolarHBondContact O-N 3.3Å
384K25Very low25.3Very low203 Ų203148.8 Ų148.888%0.88377%0.77SS**  trans-63.979.8170.7-69.1174.71771750108.3I382 P386I382-K384 PolarHBondContact O-N 3.42Å; I382-K384 VanDerWaalsContact O-N 3.1Å; K384-P386 WeakPolarHBondContact O-CD 3.32Å
385A23.3Very low25.5Very low83 Ų83147.5 Ų147.569%0.68677%0.772SS**  trans-79.9116.7166.600000108.3E383 L387E383-A385 PolarHBondContact O-N 3.3Å; A385-L387 PolarHBondContact O-N 2.86Å
386P25.4Very low25.6Very low115 Ų115146.7 Ų146.775%0.74777%0.773SS**  trans-77.1110.7-175.630.3-30.2000109.7K384 K388K384-P386 WeakPolarHBondContact O-CD 3.32Å; P386-K388 PolarHBondContact O-N 3.18Å
387L25.1Very low25.9Very low184 Ų184146.4 Ų146.496%0.96377%0.774SS**  trans-67.985.7159.4-109.3105.3000108.5A385A385-L387 PolarHBondContact O-N 2.86Å
388K27.3Very low26Very low183 Ų183145.5 Ų145.580%0.79678%0.777SS**  trans-125.1100.1162.6-90.2-170.9177.4-178.80110.4P386P386-K388 PolarHBondContact O-N 3.18Å
389S29Very low26.4Very low111 Ų111149.1 Ų149.178%0.77680%0.796SS**  trans64.7116.4132.165.50000119.2
390A25.2Very low26.5Very low100 Ų100147.5 Ų147.583%0.82680%0.795SS**  trans-149.670.4137.600000111.7
391I27.6Very low26.6Very low169 Ų169148.3 Ų148.387%0.86781%0.81SS**SBendtrans-134.5100.7138.5-59.9-175.2000108.8
392A26.2Very low26.8Very low82 Ų82143.4 Ų143.468%0.67881%0.809SS**  trans58.9104.4143.100000121.8
393K24.9Very low26.8Very low204 Ų204141.4 Ų141.489%0.88782%0.817SS**  47.798.3125.8-63.9-179.2179.3176.80118.8
394R26Very low26.8Very low255 Ų255145.4 Ų145.496%0.96283%0.825SS**  -160.8121.8119-117.8-176.2-177-130.13.1109.6
395G28.4Very low26.9Very low67 Ų67140.9 Ų140.969%0.69182%0.819SS**  trans-81.2149-175.300000114.1
396N27Very low27.1Very low159 Ų159142.9 Ų142.985%0.8582%0.822SS**  trans75.6152137-76.5-3.5000119.8
397P30.3Very low27.1Very low106 Ų106143.6 Ų143.669%0.68882%0.816SS**  -133.5-168.5-84.231.7-5.8000109.9
398P27.8Very low27Very low125 Ų125144.5 Ų144.581%0.81281%0.806SS**  trans-81.6139.7-155.934.7-32.7000113.4
399L32Very low27.1Very low178 Ų178145.8 Ų145.893%0.93281%0.812SS**  trans-122.8135.5162.3-80.9168.4000110.3
400K26.9Very low26.9Very low197 Ų197149.9 Ų149.986%0.85782%0.818SS**  trans-70.1161.5-175.3-70173.3173.1176.60112.4
401S27.4Very low27Very low120 Ų120148.7 Ų148.784%0.83982%0.816SS**  trans70122146.8640000120
402G25.9Very low26.9Very low82 Ų82149.8 Ų149.885%0.84582%0.818SS**  trans117.2113.1130.500000117
403G25.1Very low26.8Very low75 Ų75152 Ų15277%0.77382%0.823SS**  101109.1127.400000119.8
404R27.5Very low26.8Very low256 Ų256149 Ų14997%0.96682%0.822SS**  trans80129.2138.4-68.2-178-175.7176.21.9121.4
405S26.6Very low26.6Very low107 Ų107141.5 Ų141.575%0.74881%0.814SS**  trans-70.7157.3166-171.90000112.5
406V28.5Very low26.2Very low126 Ų126141.6 Ų141.676%0.76482%0.815SS**  164.1117.9124.5163.90000112
407E24.4Very low26Very low130 Ų130140.4 Ų140.461%0.60782%0.818SS**  trans34.3136140-66.2-167.5153.300127
408R23.1Very low25.5Very low203 Ų203140.9 Ų140.977%0.76682%0.823SS**  70.6120.2129.6-72.8177.4172.7127.64.7121.6
409K29Very low25.1Very low210 Ų210140.8 Ų140.891%0.91382%0.824SS**  -161.5142.6107.3-117.1-177.8179.9-178.40113.4
410E24.7Very low24.7Very low196 Ų196138 Ų13892%0.91682%0.817SS**  trans-71157178.6-65.4160.4140.100113
411G27.3Very low24.5Very low76 Ų76133.3 Ų133.378%0.78482%0.815SS**  trans-173.791.4172.300000113.1
412E26.1Very low24.3Very low191 Ų191133.2 Ų133.289%0.89381%0.812SS**  trans87.9118.1154.3-147160.2-166.300120.7
413V22.9Very low24.1Very low129 Ų129138.5 Ų138.578%0.78281%0.811SS**  trans-100.3125.5-175.8169.90000107.7A415V413-A415 HydrophobicContact CG1-CB 4.39Å
414T25.2Very low23.9Very low142 Ų142147 Ų14787%0.87182%0.82SS**  trans-127.696.4153.5-22.40000107.1G416T414-G416 PolarHBondContact O-N 3.13Å
415A21.8Very low23.6Very low97 Ų97143.3 Ų143.380%0.80281%0.814SS**  trans-79.9112.9172.700000108.6V413V413-A415 HydrophobicContact CG1-CB 4.39Å
416G21.6Very low23.3Very low69 Ų69148.8 Ų148.871%0.71182%0.824SS**  trans-150.795.7173.200000109.5T414T414-G416 PolarHBondContact O-N 3.13Å
417C21Very low23Very low134 Ų134147 Ų14791%0.90582%0.823SS**  trans56.4110.4164.8-66.70000119.9
418S20.3Very low22.7Very low115 Ų115146.5 Ų146.580%0.80483%0.828SS**  trans-55.9121.4160.748.40000114.3
419C20.5Very low22.6Very low123 Ų123142.6 Ų142.683%0.83183%0.832SS**  trans-141.7124.5132.6-88.50000107.1A421C419-A421 PolarHBondContact O-N 3.22Å
420P22.1Very low22.2Very low121 Ų121136.6 Ų136.679%0.78681%0.813SS**  trans-77.2119.4-167.330.2-32.1000111P422P420-P422 WeakPolarHBondContact O-CD 3.36Å
421A23.2Very low22.1Very low97 Ų97135.5 Ų135.580%0.80281%0.805SS**  trans-80.5112.7158.600000108.5C419 K423C419-A421 PolarHBondContact O-N 3.22Å; A421-K423 PolarHBondContact O-N 3.36Å
422P23.2Very low22.2Very low119 Ų119137.2 Ų137.277%0.77380%0.796SS**  trans-86.1109.3178.33.416.4000109.8P420P420-P422 WeakPolarHBondContact O-CD 3.36Å
423K21.8Very low22.4Very low193 Ų193134.1 Ų134.184%0.83978%0.781SS**  31.7116.1127.3-67.7176.8178.6174.60117.6A421 Q425A421-K423 PolarHBondContact O-N 3.36Å; K423-Q425 PolarHBondContact O-N 3.42Å
424R21.4Very low22.8Very low254 Ų254131.7 Ų131.796%0.95876%0.763SS**  trans-21.8115.6148.9-73.2177163.9-168.4-5113.3
425Q20.6Very low23.2Very low178 Ų178128.7 Ų128.783%0.83275%0.748SS**  trans-122.4124156.9-78.5-174.7-18.100109K423 A427K423-Q425 PolarHBondContact O-N 3.42Å; Q425-A427 PolarHBondContact O-N 2.8Å
426K20.7Very low23.9Very low221 Ų221125.3 Ų125.396%0.96172%0.723SS**  trans-64.6112.3158-75.8176.7174.1179.20106.3
427A21.1Very low24.9Very low90 Ų90123.4 Ų123.474%0.74470%0.696SS**  trans-113.3122.2167.500000108.2Q425 S429Q425-A427 PolarHBondContact O-N 2.8Å; A427-S429 PolarHBondContact O-N 3.14Å
428V19.5Very low26.1Very low119 Ų119120.7 Ų120.772%0.72167%0.672SS**  trans-59.5127.4177.7176.70000108.7T430V428-T430 HydrophobicContact CG1-CG2 4.18Å; V428-T430 WeakPolarHBondContact CG1-OG1 3.44Å; V428-T430 PolarHBondContact O-N 3.27Å; V428-T430 PolarHBondContact O-OG1 3.47Å
429S20.1Very low27.3Very low121 Ų121120.1 Ų120.185%0.84665%0.652SS**  trans-7179.717059.10000109.1A427A427-S429 PolarHBondContact O-N 3.14Å
430T22.1Very low28.6Very low84 Ų84117.3 Ų117.352%0.51563%0.628SS.*  trans-106.667.4171.890000108.7V428V428-T430 HydrophobicContact CG1-CG2 4.18Å; V428-T430 WeakPolarHBondContact CG1-OG1 3.44Å; V428-T430 PolarHBondContact O-N 3.27Å; V428-T430 PolarHBondContact O-OG1 3.47Å
431F22.6Very low29.9Very low172 Ų172113.6 Ų113.675%0.75460%0.599SS**  trans-140.583.3161.7-106.4-89.9000107.2E433F431-E433 HydrophobicContact CD1-CG 3.89Å; F431-E433 HydrophobicContact CE1-CG 4.43Å
432I27.6Very low31Very low113 Ų113112 Ų11258%0.57958%0.576SS**  trans-91.893.9151.5-61.3174.6000102.8L434 L437I432-L434 PolarHBondContact O-N 3.24Å; I432-L437 HydrophobicContact CG2-CD1 4.24Å; I432-L437 HydrophobicContact CG2-CD2 4.33Å; I432-L437 HydrophobicContact CG2-CG 3.81Å
433E30.6Very low32.1Very low126 Ų126110.6 Ų110.659%0.58956%0.56SS**  trans-52.4136.6171-79-173.7141.400108.5F431 S435 G436F431-E433 HydrophobicContact CD1-CG 3.89Å; F431-E433 HydrophobicContact CE1-CG 4.43Å; E433-S435 PolarHBondContact O-N 3.27Å; E433-G436 PolarHBondContact O-N 3Å
434L32.5Very low33.3Very low78 Ų78107.9 Ų107.941%0.40854%0.544SS..Hα-helixtrans-49.7-28.2177.8-77.9155.8000112.6I432 G436 L437 I438 V471I432-L434 PolarHBondContact O-N 3.24Å; L434-G436 VanDerWaalsContact C-N 3.31Å; L434-G436 PolarHBondContact O-N 3.42Å; L434-L437 PolarHBondContact O-N 2.97Å; L434-I438 WeakPolarHBondContact O-CG1 3.46Å; L434-I438 PolarHBondContact O-N 3.35Å; L434-V471 HydrophobicContact CD2-CB 3.98Å
435S33.2Very low34.3Very low78 Ų7896.4 Ų96.455%0.54550%0.502SS..Hα-helixtrans-53.4-43.9171.2-330000112.5E433 I438 W439E433-S435 PolarHBondContact O-N 3.27Å; S435-I438 PolarHBondContact O-N 3.24Å; S435-W439 WeakPolarHBondContact O-CB 3.29Å; S435-W439 PolarHBondContact O-N 3.23Å
436G36.8Very low35.4Very low27 Ų2791.2 Ų91.228%0.27849%0.49SS..Hα-helixtrans-70.4-33-179.700000113.2E433 L434 I440E433-G436 PolarHBondContact O-N 3Å; L434-G436 VanDerWaalsContact C-N 3.31Å; L434-G436 PolarHBondContact O-N 3.42Å; G436-I440 VanDerWaalsContact O-CB 3.3Å; G436-I440 WeakPolarHBondContact O-CB 3.32Å; G436-I440 VanDerWaalsContact O-CD1 3.29Å; G436-I440 WeakPolarHBondContact O-CD1 3.36Å; G436-I440 WeakPolarHBondContact O-CG1 3.33Å; G436-I440 PolarHBondContact O-N 3.12Å
437L41.6Very low36.4Very low28 Ų2884.8 Ų84.815%0.14748%0.479CS..Hα-helixtrans-72.9-36.4177-75.6169.1000112.2I432 L434 R441 L457 V471I432-L437 HydrophobicContact CG2-CD1 4.24Å; I432-L437 HydrophobicContact CG2-CD2 4.33Å; I432-L437 HydrophobicContact CG2-CG 3.81Å; L434-L437 PolarHBondContact O-N 2.97Å; L437-R441 WeakPolarHBondContact O-CB 3.32Å; L437-R441 PolarHBondContact O-N 3.46Å; L437-L457 HydrophobicContact CD2-CD1 4.5Å; L437-L457 WeakPolarHBondContact O-CD1 3.23Å; L437-V471 HydrophobicContact CD1-CG2 4.48Å
438I46.2Very low37.5Very low78 Ų7887.4 Ų87.440%0.447%0.469SS..Hα-helixtrans-66.2-45.6174.5-64.8167.7000109.6L434 S435 R441 D442L434-I438 WeakPolarHBondContact O-CG1 3.46Å; L434-I438 PolarHBondContact O-N 3.35Å; S435-I438 PolarHBondContact O-N 3.24Å; I438-R441 WeakPolarHBondContact O-CB 3.27Å; I438-R441 PolarHBondContact O-N 2.7Å; I438-D442 VanDerWaalsContact O-CG 3.29Å; I438-D442 PolarHBondContact O-N 3.36Å
439W46.8Very low38.6Very low102 Ų10293 Ų9339%0.38648%0.477SS..Hα-helixtrans-59.5-48.7175.7-173.176.8000112.7E281 S435 R441 D442 Q443E281-W439 PolarHBondContact OE1-NE1 2.72Å; E281-W439 VanDerWaalsContact OE1-NE1 3.15Å; E281-W439 PolarHBondContact OE2-NE1 3.15Å; S435-W439 WeakPolarHBondContact O-CB 3.29Å; S435-W439 PolarHBondContact O-N 3.23Å; W439-R441 VanDerWaalsContact C-N 3.28Å; W439-R441 PolarHBondContact O-N 3.11Å; W439-D442 PolarHBondContact O-N 3.33Å; W439-Q443 HydrophobicContact CD2-CG 4.09Å; W439-Q443 HydrophobicContact CE3-CG 4.44Å; W439-Q443 HydrophobicContact CH2-CG 4.31Å; W439-Q443 HydrophobicContact CZ2-CG 3.93Å; W439-Q443 WeakPolarHBondContact O-CB 3.33Å; W439-Q443 WeakPolarHBondContact O-CG 3.35Å; W439-Q443 PolarHBondContact O-N 3.14Å
440I47.5Very low39.6Very low64 Ų6490.6 Ų90.633%0.32846%0.457SS..Hα-helixtrans-61.2-37.5176.4-70.5164.8000111.3G436 R444G436-I440 VanDerWaalsContact O-CB 3.3Å; G436-I440 WeakPolarHBondContact O-CB 3.32Å; G436-I440 VanDerWaalsContact O-CD1 3.29Å; G436-I440 WeakPolarHBondContact O-CD1 3.36Å; G436-I440 WeakPolarHBondContact O-CG1 3.33Å; G436-I440 PolarHBondContact O-N 3.12Å; I440-R444 HydrophobicContact CG2-CG 4.49Å; I440-R444 VanDerWaalsContact O-CB 3.32Å; I440-R444 WeakPolarHBondContact O-CB 3.35Å; I440-R444 VanDerWaalsContact O-CG 3.29Å; I440-R444 WeakPolarHBondContact O-CG 3.47Å; I440-R444 PolarHBondContact O-N 3.46Å
441R49Very low40.4Very low44 Ų4490.2 Ų90.217%0.16645%0.452CS..Hα-helixtrans-61.9-49.9176.1-167.6-173.365.3162.7-1.9110.3L437 I438 W439 R444 C445 P452 S455 L457L437-R441 WeakPolarHBondContact O-CB 3.32Å; L437-R441 PolarHBondContact O-N 3.46Å; I438-R441 WeakPolarHBondContact O-CB 3.27Å; I438-R441 PolarHBondContact O-N 2.7Å; W439-R441 VanDerWaalsContact C-N 3.28Å; W439-R441 PolarHBondContact O-N 3.11Å; R441-R444 PolarHBondContact O-N 3.28Å; R441-C445 VanDerWaalsContact O-CB 3.25Å; R441-C445 WeakPolarHBondContact O-CB 3.27Å; R441-C445 PolarHBondContact O-N 3.46Å; R441-C445 PolarHBondContact O-SG 3.27Å; R441-P452 PolarHBondContact NH1-O 3.26Å; R441-P452 PolarHBondContact NH2-O 2.91Å; R441-S455 PolarHBondContact NH1-O 3.11Å; R441-L457 HydrophobicContact CB-CD1 3.5Å; R441-L457 HydrophobicContact CB-CG 4.2Å; R441-L457 HydrophobicContact CG-CD1 3.97Å; R441-L457 HydrophobicContact CG-CG 4.15Å
442D46.7Very low41.4Very low62 Ų6283.4 Ų83.433%0.33243%0.425SS..Hα-helixtrans-70.3-39.8-171.7-68.11.8000110.3I438 W439 C445 A446 P452I438-D442 VanDerWaalsContact O-CG 3.29Å; I438-D442 PolarHBondContact O-N 3.36Å; W439-D442 PolarHBondContact O-N 3.33Å; D442-C445 PolarHBondContact O-N 3.4Å; D442-A446 VanDerWaalsContact O-CB 3.29Å; D442-A446 WeakPolarHBondContact O-CB 3.4Å; D442-A446 PolarHBondContact O-N 3.18Å; D442-P452 WeakPolarHBondContact OD1-CB 3.22Å
443Q46Very low42.3Very low91 Ų9186.9 Ų86.943%0.42543%0.432SS..Hα-helixtrans-60.5-45171-71.9-68-11.100112.5W439 A446 A447W439-Q443 HydrophobicContact CD2-CG 4.09Å; W439-Q443 HydrophobicContact CE3-CG 4.44Å; W439-Q443 HydrophobicContact CH2-CG 4.31Å; W439-Q443 HydrophobicContact CZ2-CG 3.93Å; W439-Q443 WeakPolarHBondContact O-CB 3.33Å; W439-Q443 WeakPolarHBondContact O-CG 3.35Å; W439-Q443 PolarHBondContact O-N 3.14Å; Q443-A446 PolarHBondContact O-N 3.09Å; Q443-A447 WeakPolarHBondContact O-CB 3.43Å; Q443-A447 PolarHBondContact O-N 3.15Å
444R46.4Very low43Very low136 Ų13686.3 Ų86.351%0.51344%0.437SS..Hα-helixtrans-70.6-34.4178.6-75.7-177175-157.4-0.4113.1I440 R441 R448I440-R444 HydrophobicContact CG2-CG 4.49Å; I440-R444 VanDerWaalsContact O-CB 3.32Å; I440-R444 WeakPolarHBondContact O-CB 3.35Å; I440-R444 VanDerWaalsContact O-CG 3.29Å; I440-R444 WeakPolarHBondContact O-CG 3.47Å; I440-R444 PolarHBondContact O-N 3.46Å; R441-R444 PolarHBondContact O-N 3.28Å; R444-R448 WeakPolarHBondContact O-CB 3.08Å; R444-R448 WeakPolarHBondContact O-CG 3.29Å; R444-R448 PolarHBondContact O-N 3.12Å
445C43.7Very low43.4Very low12 Ų1283.8 Ų83.88%0.08143%0.426CS..Hα-helixtrans-68.1-43.5175.3-720000110.4R441 D442 R448 R449 V450 P452 S455R441-C445 VanDerWaalsContact O-CB 3.25Å; R441-C445 WeakPolarHBondContact O-CB 3.27Å; R441-C445 PolarHBondContact O-N 3.46Å; R441-C445 PolarHBondContact O-SG 3.27Å; D442-C445 PolarHBondContact O-N 3.4Å; C445-R448 CarbonylContact O-C 3.51Å; C445-R448 PolarHBondContact O-N 3.4Å; C445-R449 PolarHBondContact O-N 3.27Å; C445-V450 CarbonylContact C-O 3.47Å; C445-V450 VanDerWaalsContact CB-O 3.3Å; C445-V450 WeakPolarHBondContact CB-O 3.37Å; C445-V450 PolarHBondContact O-N 2.86Å; C445-P452 HydrophobicContact CB-CB 3.86Å; C445-P452 HydrophobicContact CB-CG 4.42Å; C445-S455 VanDerWaalsContact SG-CB 3.55Å
446A43Very low44Very low70 Ų7086.9 Ų86.958%0.57943%0.429SS*.Hα-helixtrans-59.9-48.3173.900000112D442 Q443 R448 R449D442-A446 VanDerWaalsContact O-CB 3.29Å; D442-A446 WeakPolarHBondContact O-CB 3.4Å; D442-A446 PolarHBondContact O-N 3.18Å; Q443-A446 PolarHBondContact O-N 3.09Å; A446-R448 PolarHBondContact O-N 3.13Å; A446-R449 PolarHBondContact O-N 3.38Å; A446-R449 VanDerWaalsContact O-N 3.16Å
447A41.3Very low44.3Very low86 Ų8687 Ų8771%0.71142%0.424SS*.Hα-helixtrans-60-28.3177.700000113.4Q443Q443-A447 WeakPolarHBondContact O-CB 3.43Å; Q443-A447 PolarHBondContact O-N 3.15Å
448R43.9Very low44.4Very low144 Ų14489 Ų8954%0.54344%0.437SS..THydrogen-bonded Turntrans-102.53.3-178.9-64.8-176.4-178.6-149.8-2.7113.9R444 C445 A446 V450R444-R448 WeakPolarHBondContact O-CB 3.08Å; R444-R448 WeakPolarHBondContact O-CG 3.29Å; R444-R448 PolarHBondContact O-N 3.12Å; C445-R448 CarbonylContact O-C 3.51Å; C445-R448 PolarHBondContact O-N 3.4Å; A446-R448 PolarHBondContact O-N 3.13Å; R448-V450 HydrophobicContact CB-CG2 3.87Å; R448-V450 WeakPolarHBondContact O-CG2 3.3Å; R448-V450 PolarHBondContact O-N 2.8Å
449R44Very low44.2Very low238 Ų23891.2 Ų91.290%0.89844%0.44SS*.THydrogen-bonded Turntrans51.838.3-173.5-56.8-177.8179-177-1.4113C445 A446C445-R449 PolarHBondContact O-N 3.27Å; A446-R449 PolarHBondContact O-N 3.38Å; A446-R449 VanDerWaalsContact O-N 3.16Å
450V39.9Very low43.8Very low69 Ų6991.1 Ų91.142%0.41845%0.453SS..  trans-106143.9175.1-168.20000108.3C445 R448 P452 S455C445-V450 CarbonylContact C-O 3.47Å; C445-V450 VanDerWaalsContact CB-O 3.3Å; C445-V450 WeakPolarHBondContact CB-O 3.37Å; C445-V450 PolarHBondContact O-N 2.86Å; R448-V450 HydrophobicContact CB-CG2 3.87Å; R448-V450 WeakPolarHBondContact O-CG2 3.3Å; R448-V450 PolarHBondContact O-N 2.8Å; V450-P452 WeakPolarHBondContact O-CD 3.48Å; V450-S455 WeakPolarHBondContact CG1-OG 3.48Å
451D40.3Very low43.4Very low76 Ų7693.9 Ų93.941%0.40647%0.473SS..  trans-71.3118.5178.8175.93.6000110.5Y453 V454 S455D451-Y453 PolarHBondContact O-N 2.86Å; D451-Y453 VanDerWaalsContact OD1-CB 3.32Å; D451-Y453 WeakPolarHBondContact OD1-CB 3.42Å; D451-Y453 VanDerWaalsContact OD1-CD2 3.26Å; D451-Y453 WeakPolarHBondContact OD1-CD2 3.26Å; D451-Y453 PolarHBondContact OD1-N 3.24Å; D451-V454 HydrophobicContact CB-CG2 3.67Å; D451-V454 WeakPolarHBondContact O-CG2 3.32Å; D451-V454 PolarHBondContact O-N 3.2Å; D451-S455 WeakPolarHBondContact O-CB 3.27Å; D451-S455 PolarHBondContact O-N 2.94Å; D451-S455 PolarHBondContact O-OG 3.33Å
452P43Very low43Very low30 Ų3095.7 Ų95.720%0.19549%0.486CS..THydrogen-bonded Turntrans-63.7-24.2178.125.1-32.5000113.1R441 D442 C445 V450 V454 S455R441-P452 PolarHBondContact NH1-O 3.26Å; R441-P452 PolarHBondContact NH2-O 2.91Å; D442-P452 WeakPolarHBondContact OD1-CB 3.22Å; C445-P452 HydrophobicContact CB-CB 3.86Å; C445-P452 HydrophobicContact CB-CG 4.42Å; V450-P452 WeakPolarHBondContact O-CD 3.48Å; P452-V454 VanDerWaalsContact C-N 3.27Å; P452-V454 PolarHBondContact O-N 3.46Å; P452-S455 PolarHBondContact O-N 3.22Å
453Y45.5Very low42.7Very low186 Ų186102 Ų10273%0.72952%0.518SS*.THydrogen-bonded Turntrans-71.2-21.1-179.6-67.8-75.9000113.6D451D451-Y453 PolarHBondContact O-N 2.86Å; D451-Y453 VanDerWaalsContact OD1-CB 3.32Å; D451-Y453 WeakPolarHBondContact OD1-CB 3.42Å; D451-Y453 VanDerWaalsContact OD1-CD2 3.26Å; D451-Y453 WeakPolarHBondContact OD1-CD2 3.26Å; D451-Y453 PolarHBondContact OD1-N 3.24Å
454V44.9Very low42.3Very low114 Ų114100.8 Ų100.869%0.69153%0.531SS*.THydrogen-bonded Turntrans-113.30.6177.5-69.10000113.3D451 P452D451-V454 HydrophobicContact CB-CG2 3.67Å; D451-V454 WeakPolarHBondContact O-CG2 3.32Å; D451-V454 PolarHBondContact O-N 3.2Å; P452-V454 VanDerWaalsContact C-N 3.27Å; P452-V454 PolarHBondContact O-N 3.46Å
455S42.4Very low42Very low24 Ų2495.7 Ų95.717%0.16852%0.521CS..  trans-100.3140.8-177.6-61.80000112R441 C445 V450 D451 P452R441-S455 PolarHBondContact NH1-O 3.11Å; C445-S455 VanDerWaalsContact SG-CB 3.55Å; V450-S455 WeakPolarHBondContact CG1-OG 3.48Å; D451-S455 WeakPolarHBondContact O-CB 3.27Å; D451-S455 PolarHBondContact O-N 2.94Å; D451-S455 PolarHBondContact O-OG 3.33Å; P452-S455 PolarHBondContact O-N 3.22Å
456K46Very low42Very low143 Ų14396.2 Ų96.262%0.62252%0.522SS*.  trans-117.2135.9179.6-63.4-176.3167.9-174.90110.4V458 D466K456-V458 HydrophobicContact CB-CG2 4.28Å; K456-D466 HydrophobicContact CD-CB 3.95Å; K456-D466 WeakPolarHBondContact CD-OD2 3.45Å; K456-D466 VanDerWaalsContact CE-OD2 3.27Å; K456-D466 WeakPolarHBondContact CE-OD2 3.32Å; K456-D466 HydrophobicContact CG-CB 4.41Å; K456-D466 WeakPolarHBondContact CG-OD2 3.49Å
457L43.1Very low42.2Very low30 Ų3094.3 Ų94.316%0.15750%0.502CS..  trans-80127.4163.4-85.8157.6000108.1L437 R441 L467L437-L457 HydrophobicContact CD2-CD1 4.5Å; L437-L457 WeakPolarHBondContact O-CD1 3.23Å; R441-L457 HydrophobicContact CB-CD1 3.5Å; R441-L457 HydrophobicContact CB-CG 4.2Å; R441-L457 HydrophobicContact CG-CD1 3.97Å; R441-L457 HydrophobicContact CG-CG 4.15Å; L457-L467 HydrophobicContact CB-CB 3.94Å; L457-L467 HydrophobicContact CB-CD1 4.18Å; L457-L467 VanDerWaalsContact O-CB 3.32Å; L457-L467 WeakPolarHBondContact O-CB 3.36Å; L457-L467 PolarHBondContact O-N 2.93Å
458V43.3Very low42.2Very low69 Ų6991.1 Ų91.142%0.41848%0.475SS..BIsolated β-bridgetrans-123.6141.2-178.8-174.70000109K456 D462 G465K456-V458 HydrophobicContact CB-CG2 4.28Å; V458-D462 VanDerWaalsContact CG1-O 3.27Å; V458-D462 WeakPolarHBondContact CG1-O 3.21Å; V458-G465 WeakPolarHBondContact CA-O 3.49Å
459R42.2Very low41.8Very low125 Ų12594.6 Ų94.647%0.47249%0.488SS..  trans-67.4145.2175-70.8-173.1-164.4-169.84.7110.2T461 D462 L467R459-T461 PolarHBondContact O-N 3.33Å; R459-D462 HydrophobicContact CB-CB 4.37Å; R459-D462 PolarHBondContact O-N 3Å; R459-L467 HydrophobicContact CG-CD1 3.77Å; R459-L467 HydrophobicContact CG-CD2 3.51Å; R459-L467 HydrophobicContact CG-CG 3.78Å; R459-L467 VanDerWaalsContact NE-CD2 3.31Å
460P36.8Very low41.3Very low101 Ų10190.5 Ų90.566%0.65648%0.479SS*.THydrogen-bonded Turntrans-59.7-23.2-179.5-20.730.9000114.2L380L380-P460 HydrophobicContact CD2-CG 3.95Å
461T40.8Very low40.9Very low122 Ų12288.9 Ų88.975%0.74847%0.469SS*.THydrogen-bonded Turntrans-101.4-11.4-174.1460000114.5R459R459-T461 PolarHBondContact O-N 3.33Å
462D40.1Very low40.3Very low81 Ų8195.5 Ų95.543%0.43349%0.489SS..  trans-113111.4-173.6-62.1-31.5000110.5V458 R459 G464V458-D462 VanDerWaalsContact CG1-O 3.27Å; V458-D462 WeakPolarHBondContact CG1-O 3.21Å; R459-D462 HydrophobicContact CB-CB 4.37Å; R459-D462 PolarHBondContact O-N 3Å; D462-G464 PolarHBondContact O-N 2.86Å
463L40.7Very low39.5Very low194 Ų19498.4 Ų98.4100%1.01650%0.502SS*.THydrogen-bonded Turntrans-65.677169.6-76.2155.3000110
464G37.2Very low38.6Very low67 Ų6795.5 Ų95.569%0.69150%0.499SS*.THydrogen-bonded Turntrans124.16.5163.400000118.5D462D462-G464 PolarHBondContact O-N 2.86Å
465G40.2Very low37.9Very low29 Ų2996.4 Ų96.430%0.29951%0.507SS..  trans-85.7120.517800000113.7V458 L467V458-G465 WeakPolarHBondContact CA-O 3.49Å; G465-L467 PolarHBondContact O-N 2.84Å
466D43.8Very low37.2Very low22 Ų2298.8 Ų98.812%0.11852%0.524CS..BIsolated β-bridgetrans-80.6107.3174.3-169.1-5.9000110.9K456 S468 R469K456-D466 HydrophobicContact CD-CB 3.95Å; K456-D466 WeakPolarHBondContact CD-OD2 3.45Å; K456-D466 VanDerWaalsContact CE-OD2 3.27Å; K456-D466 WeakPolarHBondContact CE-OD2 3.32Å; K456-D466 HydrophobicContact CG-CB 4.41Å; K456-D466 WeakPolarHBondContact CG-OD2 3.49Å; D466-S468 PolarHBondContact O-N 3.47Å; D466-S468 VanDerWaalsContact OD1-CB 3.26Å; D466-S468 WeakPolarHBondContact OD1-CB 3.42Å; D466-S468 PolarHBondContact OD1-N 3.33Å; D466-S468 VanDerWaalsContact OD1-N 3.08Å; D466-S468 PolarHBondContact OD1-OG 3.42Å; D466-R469 PolarHBondContact O-N 3.26Å
467L46.6Very low36.3Very low30 Ų3095.7 Ų95.716%0.15753%0.533CS..THydrogen-bonded Turntrans-60.7-22.8177-79.5163.9000113L457 R459 G465 R469L457-L467 HydrophobicContact CB-CB 3.94Å; L457-L467 HydrophobicContact CB-CD1 4.18Å; L457-L467 VanDerWaalsContact O-CB 3.32Å; L457-L467 WeakPolarHBondContact O-CB 3.36Å; L457-L467 PolarHBondContact O-N 2.93Å; R459-L467 HydrophobicContact CG-CD1 3.77Å; R459-L467 HydrophobicContact CG-CD2 3.51Å; R459-L467 HydrophobicContact CG-CG 3.78Å; R459-L467 VanDerWaalsContact NE-CD2 3.31Å; G465-L467 PolarHBondContact O-N 2.84Å; L467-R469 VanDerWaalsContact C-N 3.28Å; L467-R469 PolarHBondContact O-N 2.8Å
468S40.5Very low35.5Very low20 Ų20102 Ų10214%0.1457%0.566CS.*THydrogen-bonded Turntrans-77.3-14.4-174.7-23.20000112.9D466D466-S468 PolarHBondContact O-N 3.47Å; D466-S468 VanDerWaalsContact OD1-CB 3.26Å; D466-S468 WeakPolarHBondContact OD1-CB 3.42Å; D466-S468 PolarHBondContact OD1-N 3.33Å; D466-S468 VanDerWaalsContact OD1-N 3.08Å; D466-S468 PolarHBondContact OD1-OG 3.42Å
469R37.1Very low34.8Very low217 Ų217101.8 Ų101.882%0.81958%0.578SS**THydrogen-bonded Turntrans-122.5-8.3-175-72.9-173175.5-161.2-0.5114.9D466 L467D466-R469 PolarHBondContact O-N 3.26Å; L467-R469 VanDerWaalsContact C-N 3.28Å; L467-R469 PolarHBondContact O-N 2.8Å
470Q32.9Very low34.1Very low151 Ų151102 Ų10271%0.70660%0.596SS**  trans-138.274.8-174.8-81.9178.5-22.400111.8
471V30.9Very low34Very low35 Ų35107.4 Ų107.421%0.21263%0.627CS.*  trans-13375.8152.1-1740000107.3L434 L437 L473L434-V471 HydrophobicContact CD2-CB 3.98Å; L437-V471 HydrophobicContact CD1-CG2 4.48Å; V471-L473 HydrophobicContact CG1-CD1 4.25Å; V471-L473 HydrophobicContact CG1-CG 3.77Å; V471-L473 PolarHBondContact O-N 3.27Å
472R27.7Very low33.6Very low216 Ų216106.7 Ų106.782%0.81562%0.621SS**  trans-75.3103146.2-88.6-175.4172.4159.5-2.7104.7D474R472-D474 PolarHBondContact O-N 3.27Å
473L27.3Very low33.3Very low90 Ų90108 Ų10847%0.47163%0.63SS.*  trans-69.5104.8157.8-78.4160.4000104.9V471 P475V471-L473 HydrophobicContact CG1-CD1 4.25Å; V471-L473 HydrophobicContact CG1-CG 3.77Å; V471-L473 PolarHBondContact O-N 3.27Å; L473-P475 WeakPolarHBondContact O-CD 3.34Å
474D27Very low32.9Very low125 Ų125103.2 Ų103.267%0.66861%0.609SS**  trans-54.1119.2164.7-92-30.9000107.6R472 S476R472-D474 PolarHBondContact O-N 3.27Å; D474-S476 PolarHBondContact O-N 3.32Å
475P29.6Very low32.6Very low133 Ų133105.4 Ų105.486%0.86460%0.604SS**SBendtrans-69.3-12.7173.4-12.828.1000111.7L473 G477L473-P475 WeakPolarHBondContact O-CD 3.34Å; P475-G477 PolarHBondContact O-N 3.37Å
476S26.9Very low32.1Very low74 Ų74110.1 Ų110.152%0.51762%0.623SS.*  trans-93.189.1178.944.80000110.6D474 L478D474-S476 PolarHBondContact O-N 3.32Å; S476-L478 PolarHBondContact O-N 3.48Å
477G28.1Very low31.4Very low79 Ų79116 Ų11681%0.81466%0.657SS**  trans-66.459.3163.100000112.9P475P475-G477 PolarHBondContact O-N 3.37Å
478L25.8Very low30.3Very low161 Ų161122.1 Ų122.184%0.84369%0.693SS**  trans-130.784.7168.5-79.3164.8000107.6S476S476-L478 PolarHBondContact O-N 3.48Å
479G28.4Very low29.5Very low65 Ų65130 Ų13067%0.6774%0.735SS**  trans-68.2158159.600000110.3
480P28.6Very low28.9Very low131 Ų131122.8 Ų122.885%0.85173%0.728SS**  trans-71.3140.5-172.631.9-33.2000110.7
481T33.2Very low28.5Very low213 Ų213120.2 Ų120.2100%1.30773%0.73SS**  trans-62.50160.645.20000112

Retrieved 481 of 481 residues in 153 ms (Link to these results)